SCHEMBL14578331

SCHEMBL14578331

CO/N=C/c1ccc(-c2ccccc2NC(=O)c2sc(C)nc2C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 7/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL9979544 0.87 HTT (0.43) RAB9AKDM4EHTTSMN1; SMN2TDP1
SCHEMBL5341760 0.87 HTT (0.43) RAB9AKDM4EHTTSMN1; SMN2TDP1
SCHEMBL14578059 0.85 KDM4E (0.42) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL557468 0.85 MAPT (0.45) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL14564442 0.84 MAPT (0.44) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL5165138 0.83 CHRNA7 (0.47) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL14564410 0.82 MAPT (0.44) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL14564506 0.81 MAPT (0.43) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL344007 0.81 MAPT (0.43) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL14612049 0.81 KMT2A (0.46) RAB9AKDM4EHTTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed