SCHEMBL28010850

SCHEMBL28010850

Cc1cc(O)cc2c1cc(C(N)=O)n2C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.38
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
ESR1 P03372 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL28010853 0.78 PRKDC (0.47) MEN1KMT2AMTORPRKDCPOLB
SCHEMBL23147723 0.71 MEN1 (0.36) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL28331999 0.69 PLA2G10 (0.48) ALDH1A1MEN1KMT2APLA2G10OPRM1
SCHEMBL29715262 0.68 AURKA (0.41) GAAALDH1A1MAPTPIK3CAMTOR
SCHEMBL11328980 0.67 MEN1 (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL27667941 0.65 GAA (0.50) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL30995195 0.65 NOTUM (0.42) GAAALDH1A1MEN1KMT2APIK3CA
SCHEMBL29812968 0.64 TYK2 (0.31)
SCHEMBL27318192 0.63 NOTUM (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL29715223 0.62 AURKA (0.38) GAAALDH1A1MEN1KMT2APIK3CA

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
CN-104603106-B Indole carboxamide derivatives and uses thereof 诺华股份有限公司 2017-05-10 CN disclosed
CN-104603106-A Indole carboxamide derivatives and uses thereof NOVARTIS AG 2015-05-06 CN disclosed