SCHEMBL9959762

SCHEMBL9959762

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1nc(C)cs1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.62
PLA2G2A P14555 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.36

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
SCHEMBL9960029 0.86 FAAH (0.62) FAAHPLA2G2AKDM4EALDH1A1MAPT
SCHEMBL2159739 0.86 FAAH (0.79) FAAHPLA2G2AKDM4EALDH1A1MAPT
SCHEMBL9958778 0.85 FAAH (0.67) FAAHPLA2G2AKDM4EALDH1A1MAPT
SCHEMBL2197934 0.85 FAAH (0.81) FAAHPLA2G2AKDM4EALDH1A1MAPT
SCHEMBL9959139 0.85 FAAH (0.65) FAAHPLA2G2AKDM4EALDH1A1MAPT
SCHEMBL10234769 0.84 FAAH (0.74) FAAHPLA2G2AKDM4EALDH1A1MAPT
SCHEMBL2159717 0.84 FAAH (0.74) FAAHPLA2G2AALDH1A1MAPTMAPK1
SCHEMBL2159916 0.83 FAAH (0.87) FAAHPLA2G2AALDH1A1MAPTMAPK1
SCHEMBL9959494 0.83 FAAH (0.68) FAAHPLA2G2AKDM4EALDH1A1MAPT
SCHEMBL9951898 0.83 FAAH (0.65) FAAHPLA2G2AKDM4EALDH1A1MAPT

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
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed