SCHEMBL8301624

SCHEMBL8301624

COc1cc(C#N)ccc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 3/20 0.52
RAB9A P51151 1/20 0.47
AR P10275 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44

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
SCHEMBL8304598 0.90 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL29804379 0.83 AR (0.43) ARLMNAMRGPRX4SMN1; SMN2
SCHEMBL24682595 0.83 AR (0.43) ARLMNAMRGPRX4SMN1; SMN2
SCHEMBL8942532 0.82 LMNA (0.60) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL30678445 0.82 KMT2A (0.43) ARLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL29804436 0.82 KMT2A (0.43) ARLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL24682665 0.82 KMT2A (0.43) ARLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL8304006 0.81 SMN1; SMN2 (0.55) HPGDARLMNAKMT2APOLB
SCHEMBL8303783 0.80 RAB9A (0.52) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL8299363 0.78 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19HPGDRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed