SCHEMBL5583773

SCHEMBL5583773

COc1ccnc(C(=O)Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
RAF1 P04049 1/20 0.53
ABL1 P00519 7/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNH2 Q12809 1/20 0.48
SERPINE1 P05121 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
FAAH O00519 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL5583629 0.97 ABL1 (0.53) EPHX2RAF1ABL1NPC1RAB9A
SCHEMBL5583761 0.92 RAF1 (0.50) EPHX2RAF1ABL1NPC1RAB9A
SCHEMBL4701462 0.89 MAPT (0.52) RAF1RAB9ATRPV1
SCHEMBL5583655 0.88 RAB9A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5583670 0.86 KDR (0.55) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL2237038 0.86 RAB9A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5583850 0.85 KDR (0.50) RAF1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14284622 0.85 RAF1 (0.44) RAF1
SCHEMBL14284627 0.85 RAF1 (0.49) EPHX2RAF1ABL1MEN1KMT2A
SCHEMBL14284595 0.85 KDR (0.55) RAB9AMEN1KMT2AHTT

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-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed