SCHEMBL135741

SCHEMBL135741

N#Cc1ccc(N=C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
CYP1B1 Q16678 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 3/20 0.42
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TRPA1 O75762 1/20 0.41
CA1 P00915 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
MMP3 P08254 1/20 0.38
ENPP2 Q13822 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10065210 0.94 MMP3 (0.48) CYP3A4TSHRNOS3NOS1CYP1B1
SCHEMBL22798869 0.94 CYP3A4 (0.47) CYP3A4TSHRNOS3NOS1CYP1B1
SCHEMBL1107101 0.88 CYP3A4 (0.74) CYP3A4TSHRNOS3NOS1CYP1B1
SCHEMBL10299686 0.88 PARP15 (0.50) CYP3A4TSHRNOS3NOS1CYP1B1
SCHEMBL13081964 0.88 CYP19A1 (0.49) CYP3A4TSHRNOS3NOS1CYP1B1
SCHEMBL13170270 0.88 PARP15 (0.50) CYP3A4TSHRNOS3NOS1CYP1B1
SCHEMBL13907414 0.88 TSHR (0.57) CYP3A4TSHRNOS3NOS1CA2
SCHEMBL13086886 0.85 KIF11 (0.46) CYP3A4TSHRNOS3NOS1CYP1B1
Water SCHEMBL28889229 0.84 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1CA2
SCHEMBL12628544 0.84 CYP3A4 (0.67) CYP3A4TSHRNOS3NOS1CYP1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1332 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 US claimed
CN-117067704-B High-strength high-toughness silicon core tube and preparation method thereof 任丘市凯华通讯电力器材有限公司 2024-04-26 CN claimed
CN-117524581-A Preparation method of modified graphene polyurethane conductive film 德州宇航派蒙石墨烯科技有限责任公司 2024-02-06 CN claimed
CN-117317142-A Self-polymerization product modified lithium ion solid-state battery anode based on alkali-initiated in-situ nucleophilic reaction, and preparation method and application thereof 武汉大学 2023-12-29 CN claimed
CN-117067704-A High-strength high-toughness silicon core tube and preparation method thereof 任丘市凯华通讯电力器材有限公司 2023-11-17 CN claimed
CN-112349449-B Transparent conductive coating and preparation method and application thereof 中国建筑材料科学研究总院有限公司 2022-04-08 CN claimed
US-11291974-B2 Hybrid inorganic/organic materials having novel surface modification; process for the preparation of inorganic/organic hybrid materials; and use of said particles for chromatographic separations WATERS TECHNOLOGIES CORPORATION (US) 2022-04-05 US claimed
EP-3964287-A1 HYBRID MATERIAL FOR CHROMATOGRAPHIC SEPARATIONS Waters Technologies Corporation (US) 2022-03-09 EP claimed
CN-111276738-B Asymmetric solid electrolyte, preparation method thereof and application thereof in high-voltage solid-state battery 中国科学院化学研究所 2021-08-31 CN claimed
CN-112349449-A Transparent conductive coating and preparation method and application thereof 中国建筑材料科学研究总院有限公司 2021-02-09 CN claimed
CN-107176925-A A kind of synthetic method of the cyclohexadione compounds of polysubstituted imidazoline 2,4 湖北科技学院 2017-09-19 CN claimed
US-20160284978-A1 PIEZOELECTRIC DEVICE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-09-29 US claimed
US-20160282196-A1 HEAT-SENSITIVE RESISTANCE DEVICE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2016-09-29 US claimed
EP-3073541-A1 PIEZOELECTRIC DEVICE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-09-28 EP claimed
EP-3073496-A1 DEVICE WITH HEAT-SENSITIVE RESISTANCE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-09-28 EP claimed
EP-2437882-A1 HYBRID MATERIAL FOR CHROMATOGRAPHIC SEPARATIONS Waters Technologies Corporation (US) 2012-04-11 EP claimed
US-20120055860-A1 HYBRID INORGANIC/ORGANIC MATERIALS HAVING NOVEL SURFACE MODIFICATION; PROCESS FOR THE PREPARATION OF INORGANIC/ORGANIC HYBRID MATERIALS; AND USE OF SAID PARTICLES FOR CHROMATOGRAPHIC SEPARATIONS WATERS TECHNOLOGIES CORPORATION (US) 2012-03-08 US claimed
US-20120012796-A1 CONDUCTIVE FILMS BASED ON GRAPHENE AND PROCESS FOR PREPARING THE SAME NANKAI UNIVERSITY (CN) 2012-01-19 US claimed
WO-2010141426-A1 HYBRID MATERIAL FOR CHROMATOGRAPHIC SEPARATIONS WATERS TECHNOLOGIES CORPORATION (US) 2010-12-09 WO claimed
US-5229243-A Addition polymer core, polyurethane or polythiourethane shell KAO CORPORATION (JP) 1993-07-20 US claimed