SCHEMBL9960029

SCHEMBL9960029

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ncc(C)s1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.62
PLA2G2A P14555 6/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.37
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 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
SCHEMBL9959139 0.92 FAAH (0.65) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL2159739 0.86 FAAH (0.79) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL9959762 0.86 FAAH (0.62) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL9959142 0.86 FAAH (0.62) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL9959285 0.86 FAAH (0.66) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL9959494 0.86 FAAH (0.68) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL9951898 0.86 FAAH (0.65) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL2197934 0.85 FAAH (0.81) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL9958778 0.85 FAAH (0.67) FAAHPLA2G2AMEN1KMT2ANPC1
SCHEMBL9956255 0.85 FAAH (0.75) FAAHPLA2G2AMEN1KMT2ANPC1

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