SCHEMBL724559

SCHEMBL724559

CC(c1ccncc1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 1/20 0.52
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
GAA P10253 1/20 0.46
ESR1 P03372 1/20 0.46
PDCD1 Q15116 1/20 0.46
ESR2 Q92731 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CYP19A1 P11511 3/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
CYP2D6 P10635 2/20 0.38
CHRM1 P11229 2/20 0.38
HDAC8 Q9BY41 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
SCHEMBL29173259 0.89 CYP19A1 (0.48) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL16703625 0.89 SLC6A2 (0.65) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL12256542 0.89 SLC6A2 (0.65) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL2600826 0.89 SLC6A2 (0.65) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL6000334 0.87 SLC6A2 (0.62) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL29173225 0.85 MAPKAPK2 (0.45) CYP3A4CYP2C19ESR1PDCD1ESR2
SCHEMBL6295425 0.85 CYP3A4 (0.41) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL12204722 0.85 CYP19A1 (0.68) CYP3A4CYP2C19ESR1PDCD1ESR2
Ammonia Solution, Strong SCHEMBL6000291 0.85 CYP19A1 (0.42) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL6000116 0.83 KMT2A (0.43) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3516096-A1 COPPER ELECTRODEPOSITION IN MICROELECTRONICS MacDermid Enthone Inc. (US) 2019-07-31 EP claimed
CN-108440393-A Method for detecting impurities in tirofiban material impurity, impurity preparation and material 成都倍特药业有限公司 2018-08-24 CN claimed
CN-105283445-A Metal complex, adsorbing material, separating material, and method for separating 1, 3-butadiene SHOWA DENKO KK 2016-01-27 CN claimed
EP-2917224-A1 METAL-ORGANIC MATERIALS (MOMS) FOR ADSORPTION OF POLARIZABLE GASES AND METHODS OF USING MOMS University Of South Florida (US) 2015-09-16 EP claimed
WO-2014074378-A1 METAL-ORGANIC MATERIALS (MOMS) FOR ADSORPTION OF POLARIZABLE GASES AND METHODS OF USING MOMS UNIVERSITY OF SOUTH FLORIDA (US) 2014-05-15 WO claimed
WO-2009098001-A1 ORGANOMETALLIC SKELETON COMPOUNDS ON THE BASIS OF TRIPTYCENE BAYER MATERIALSCIENCE AG (DE) 2009-08-13 WO claimed
WO-2008148560-A1 NEW HYBRID COMPOUNDS OF NUCLEOBASES AND ORGANIC REDOX MOLECULES AND THEIR USE Universität Osnabrück (DE) 2008-12-11 WO claimed
EP-1392707-A2 NEW ANIONIC AND NEUTRAL COMPLEXES OF RUTHENIUM (II) WITH NITROGEN OXIDE Sigea S.R.L. (IT) 2004-03-03 EP claimed
WO-2002076998-A2 NEW ANIONIC AND NEUTRAL COMPLEXES OF RUTHENIUM (II) WITH NITROGEN OXIDE SIGEA S.R.L. (IT) 2002-10-03 WO claimed
EP-3820929-B1 COORDINATION POLYMER OF A PRECURSOR CONTAINING CU(I) IONS CENTRE NAT RECH SCIENT (FR) 2024-12-04 EP disclosed
EP-4304766-A1 MEMBRANE DEVICE Evove Ltd (GB) 2024-01-17 EP disclosed
EP-4304765-A1 SPACER FOR A SPIRAL WOUND MEMBRANE Evove Ltd (GB) 2024-01-17 EP disclosed
WO-2022137898-A1 CARBON DIOXIDE RECOVERY SYSTEM 株式会社デンソー 2022-06-30 WO disclosed
WO-2021143690-A1 OSMIUM-CONTAINING CONJUGATED POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 厦门大学 2021-07-22 WO disclosed
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
EP-1246775-A1 SYNTHESIS OF CRYSTALLINE SILICOALUMINOPHOSPHATES Exxon Chemical Patents Inc. (US) 2002-10-09 EP disclosed
WO-2002076998-A2 NEW ANIONIC AND NEUTRAL COMPLEXES OF RUTHENIUM (II) WITH NITROGEN OXIDE SIGEA S.R.L. (IT) 2002-10-03 WO disclosed
WO-2001047810-A1 SYNTHESIS OF CRYSTALLINE SILICOALUMINOPHOSPHATES EXXON CHEMICAL PATENTS INC. (US) 2001-07-05 WO disclosed
EP-1098878-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000003986-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed