SCHEMBL751

SCHEMBL751

N#CCS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.54
MAPT P10636 2/20 0.52
HTR6 P50406 1/20 0.44
HSD11B1 P28845 6/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
PLA2G7 Q13093 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
Methane SCHEMBL8122177 0.98 PSIP1 (0.52) PSIP1MAPTHTR6HSD11B1ALDH1A1
SCHEMBL10825831 0.81 PSIP1 (0.58) PSIP1MAPTHTR6HSD11B1ALDH1A1
SCHEMBL3247012 0.80 ALDH1A1 (0.50) HSD11B1ALDH1A1CA12CA1CA2
SCHEMBL7531712 0.79 PSIP1 (0.56) PSIP1MAPTHTR6HSD11B1ALDH1A1
SCHEMBL5745307 0.78 GAA (0.55) HTR6ALDH1A1TDP1CA12CA1
SCHEMBL2320786 0.78 PSEN1 (0.46) HSD11B1ALDH1A1CA1CA2TP53
SCHEMBL4074745 0.78 ENPP2 (0.45) SMN1; SMN2TP53
SCHEMBL22057007 0.78 MAPT (0.53) MAPTALDH1A1CA12CA1CA2
SCHEMBL6544699 0.78 TP53 (0.56) PSIP1MAPTHSD11B1ALDH1A1HSD17B10
SCHEMBL1169954 0.78 ALDH1A1 (0.55) MAPTALDH1A1HSD17B10TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4541830-A1 PROCESS FOR PRODUCING POLYURETHANE FOAM Covestro Deutschland AG (DE) 2025-04-23 EP claimed
CN-119707927-A Triazole-containing compound, synthesis method and application thereof 贵州大学 2025-03-28 CN claimed
CN-117209400-B 3-Nitrogen mustard-2-sulfonyl acrylonitrile derivative with anti-tumor activity and preparation method and application thereof 广东海洋大学 2024-04-26 CN claimed
CN-113528593-B Method for preparing alpha-phenyl cinnamonitrile derivative based on mechanical ball milling-enzyme catalytic coupling technology 浙江工业大学 2024-02-02 CN claimed
CN-116675663-A Preparation method of coumarin compound and application of coumarin compound in neuroprotection 兰州交通大学 2023-09-01 CN claimed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 WO claimed
CN-113528593-A Method for preparing alpha-phenylcinnamonitrile derivative based on mechanical ball milling-enzyme catalytic coupling technology 浙江工业大学 2021-10-22 CN claimed
CN-113130994-A Electrolyte and electrochemical device comprising same 深圳市研一新材料有限责任公司 2021-07-16 CN claimed
CN-107652230-B Synthesis method of 2-methoxy-7, 8-dihydroquinoline-6 (5H) -ketone 上海亚兴生物医药科技有限公司 2021-01-05 CN claimed
CN-110183379-A A kind of copper catalysis one kettle way prepares the synthetic method and application of C-4 sulfuryl substituted isoquinoline ketone compounds 青岛科技大学 2019-08-30 CN claimed
US-20030168629-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2003-09-11 US claimed
WO-2003050094-A1 REACTIVE LIQUID POLYMER CROSSLINKING AGENT AND PROCESS FOR PREPARATION LCB WORLDWIDE INC. (US) 2003-06-19 WO claimed
US-6336963-B1 INK COMPOSITION COMPRISING INK VEHICLE COMPRISING FIRST NITRILE COMPOUND HAVING FIRST VISCOSITY AT MELT TEMPERATURE, VISCOSITY MODIFIER COMPRISING SECOND NITRILE COMPOUND HAVING LOWER VISCOSITY AT MELT TEMPERATURE, COLORANT XEROX CORPORATION 2002-01-08 US claimed
US-5348838-A Photoresist KABUSHIKI KAISHA TOSHIBA (JP) 1994-09-20 US claimed
EP-0417555-B1 Pentamethine dyes and derivatives BAYER AG (DE) 1993-11-03 EP claimed
US-5118814-A Pressure sensitive and heat sensitive recording media BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US claimed
EP-0370198-A1 Tetraindolyl heptamethine derivatives BAYER AG (DE) 1990-05-30 EP claimed
EP-0042177-B1 STABILIZERS FOR CYCLOALIPHATIC EPOXIDE CONTAINING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1986-07-02 EP claimed
EP-0042177-A1 Stabilizers for cycloaliphatic epoxide containing compositions UNION CARBIDE CORPORATION (US) 1981-12-23 EP claimed
US-4294746-A NITRILES OR ISOCYANATES FOR MOLDED ARTICLES UNION CARBIDE CORPORATION (US) 1981-10-13 US claimed