SCHEMBL8303783

SCHEMBL8303783

COc1cc(C#N)cc(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
LMNA P02545 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
FFAR1 O14842 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 4/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
XBP1 P17861 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL8942532 0.84 LMNA (0.60) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL8299363 0.83 CYP1A2 (0.50) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL9790809 0.81 LMNA (0.67) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL8301624 0.80 CYP1A2 (0.54) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL8304598 0.80 CYP1A2 (0.56) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL11360493 0.77 SMN1; SMN2 (0.71) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL769495 0.77 CYP1A2 (0.61) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL8636196 0.75 RAB9A (0.67) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL12585076 0.74 LMNA (0.64) RAB9ALMNACYP1A2CYP3A4CYP2C19
SCHEMBL693651 0.74 RAB9A (0.61) RAB9ALMNACYP1A2CYP3A4CYP2C19

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