SCHEMBL9959142

SCHEMBL9959142

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1cnc(OC)s1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.62
PLA2G2A P14555 6/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL9959285 0.92 FAAH (0.66) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9959951 0.87 FAAH (0.66) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9960029 0.86 FAAH (0.62) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL2159739 0.86 FAAH (0.79) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9959494 0.85 FAAH (0.68) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9951898 0.85 FAAH (0.65) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL2197934 0.85 FAAH (0.81) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9958778 0.85 FAAH (0.67) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9956113 0.85 FAAH (0.61) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9959139 0.85 FAAH (0.65) FAAHPLA2G2AALDH1A1PKMMEN1

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