SCHEMBL9960004

SCHEMBL9960004

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccc(NS(C)(=O)=O)cc23)ccn1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.81
MAPT P10636 3/20 0.43
P2RX3 P56373 1/20 0.40
PLA2G2A P14555 2/20 0.40
MEN1 O00255 1/20 0.40
RGS12 O14924 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
GNAI1 P63096 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL9958892 0.91 FAAH (0.85) FAAHMAPTP2RX3PLA2G2AMEN1
SCHEMBL9958593 0.91 FAAH (0.85) FAAHMAPTP2RX3PLA2G2AMEN1
SCHEMBL2169687 0.91 FAAH (0.91) FAAHMAPTP2RX3PLA2G2AMEN1
SCHEMBL9960051 0.90 FAAH (0.81) FAAHMAPTPLA2G2AMEN1RGS12
SCHEMBL29392296 0.90 FAAH (1.00) FAAHMAPTP2RX3PLA2G2AMEN1
SCHEMBL2168486 0.90 FAAH (1.00) FAAHMAPTP2RX3PLA2G2AMEN1
SCHEMBL9959128 0.88 FAAH (0.87) FAAHMAPTP2RX3PLA2G2AMEN1
SCHEMBL2159916 0.88 FAAH (0.87) FAAHMAPTPLA2G2AMEN1RGS12
SCHEMBL9959644 0.88 FAAH (0.87) FAAHMAPTPLA2G2AMEN1RGS12
SCHEMBL9952215 0.88 FAAH (0.85) FAAHMAPTP2RX3PLA2G2AMEN1

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