SCHEMBL1429613

SCHEMBL1429613

COC(=O)c1ccc(-c2nc(-c3ccccn3)[nH]c2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.53
IDO1 P14902 1/20 0.49
TGFBR1 P36897 2/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
MAPK14 Q16539 2/20 0.47
MAPK13 O15264 1/20 0.47
ALOX5 P09917 1/20 0.47
GCGR P47871 1/20 0.47

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
SCHEMBL28402323 0.80 KMT2A (0.56) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL6259 0.79 TGFBR1 (0.60) TGFBR1KDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL30772298 0.79 TGFBR1 (0.60) TGFBR1KDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL4074387 0.79 TGFBR1 (0.77) RAF1IDO1TGFBR1KDM4EALDH1A1
SCHEMBL1303881 0.78 TGFBR1 (0.53) RAF1IDO1TGFBR1KDM4EALDH1A1
SCHEMBL1303063 0.75 KDM4E (0.46) RAF1TGFBR1KDM4EALDH1A1NPC1
SCHEMBL19982677 0.75 F2 (0.65) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL32660751 0.75 CBFB (0.55) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL4245430 0.75 CBFB (0.55) KDM4EALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL32660766 0.75 F2 (0.65) KDM4EALDH1A1NPC1SMN1; SMN2PKM

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
EP-2300438-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed