SCHEMBL1703869

SCHEMBL1703869

NC(=O)C(=O)NC(CO)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.54
EPHX2 P34913 2/20 0.50
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
MAPK13 O15264 1/20 0.49
RPS6KA5 O75582 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
PRKCG P05129 1/20 0.49
CDK1 P06493 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK1 P28482 1/20 0.49
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK1 P51617 1/20 0.49

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
SCHEMBL4332848 0.89 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL23316729 0.85 RIPK1 (0.57) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL31034468 0.85 RIPK1 (0.57) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL891888 0.85 RIPK1 (0.57) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL29145674 0.84 LMNA (0.56) EPHX2TACR3
SCHEMBL3311541 0.81 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL668277 0.81 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL117597 0.81 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL4337456 0.79 RIPK1 (0.58) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL25159633 0.79 RIPK1 (0.54) RIPK1EPHX2ROCK2ROCK1MAPK13

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-102803252-A Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases UNIV LEUVEN KATH 2012-11-28 CN disclosed
EP-2440550-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-04-18 EP disclosed