SCHEMBL3714396

SCHEMBL3714396

COC(=O)c1cccc(-c2cccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
SCN5A Q14524 2/20 0.44
LPAR1 Q92633 4/20 0.42
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 2/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BRD4 O60885 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL3710277 0.94 SCN9A (0.40) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3702771 0.93 SCN9A (0.41) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3708503 0.92 LPAR1 (0.45) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3709683 0.88 SCN9A (0.42) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL2336149 0.88 LPAR1 (0.49) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3711408 0.88 LPAR1 (0.43) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3707274 0.87 LPAR1 (0.42) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3705737 0.86 KDM4C (0.43) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3713322 0.85 LPAR1 (0.47) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3710887 0.85 NR1H4 (0.48) SCN9ASCN5ALPAR1LPAR3LPAR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed