SCHEMBL5314650

SCHEMBL5314650

CC(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.85
NPC1 O15118 11/20 0.85
SMN1; SMN2 Q16637 5/20 0.79
HTT P42858 4/20 0.79
MAPT P10636 8/20 0.72
LDHA P00338 1/20 0.71
POLB P06746 1/20 0.69
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
RXFP1 Q9HBX9 1/20 0.66
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
TRPV1 Q8NER1 1/20 0.62
LMNA P02545 1/20 0.62
HPGD P15428 1/20 0.62

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
SCHEMBL30387733 0.88 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL5315708 0.87 TRPV1 (0.82) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL9679499 0.87 NPC1 (0.79) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL5316955 0.86 RAB9A (0.86) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL6979665 0.84 NPC1 (0.72) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL5316241 0.84 MAPT (1.00) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL5315753 0.84 NPC1 (0.70) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL5312716 0.84 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL3923955 0.83 LDHA (1.00) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL4664159 0.82 LDHA (0.80) RAB9ANPC1SMN1; SMN2HTTMAPT

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-2007067757-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO claimed
WO-2007067757-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO disclosed