SCHEMBL8304598

SCHEMBL8304598

N#Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 4/20 0.54
MRGPRX4 Q96LA9 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.48
AR P10275 1/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL8301624 0.90 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19HPGDMRGPRX4
SCHEMBL8942532 0.84 LMNA (0.60) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL8299363 0.83 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL8304647 0.82 KMT2A (0.61) HPGDMRGPRX4KMT2AARLMNA
SCHEMBL8635319 0.80 RAB9A (0.66) CYP1A2CYP3A4CYP2C19HPGDMRGPRX4
SCHEMBL3748894 0.80 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL8303783 0.80 RAB9A (0.52) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL16175273 0.78 SLC22A12 (0.49) ARFFAR1
SCHEMBL3751730 0.77 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HPGDMRGPRX4
SCHEMBL31086589 0.76 AR (0.50) MRGPRX4ARLMNAKDM4ESMN1; SMN2

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