SCHEMBL6845268

SCHEMBL6845268

CC(N)c1ccc(Nc2ccnc(NO)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 2/20 0.40
ACVRL1 P37023 2/20 0.40
MAPKAPK2 P49137 2/20 0.39
PARP14 Q460N5 1/20 0.36
MGLL Q99685 1/20 0.36
FAAH O00519 1/20 0.36
BRAF P15056 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
SCHEMBL6845265 0.83 ROCK2 (0.46) ROCK2ROCK1ACVRL1MAPKAPK2MGLL
SCHEMBL987306 0.80 ROCK2 (0.65) ROCK2ROCK1BRAF
SCHEMBL7872530 0.76 ROCK2 (0.44) ROCK2
SCHEMBL3559320 0.71 RAB9A (0.50) ROCK2ROCK1MAPKAPK2
SCHEMBL6559116 0.70 ROCK2 (0.64) ROCK2ROCK1MAPKAPK2BRAF
SCHEMBL22159079 0.68 ALDH1A1 (0.57)
SCHEMBL28318549 0.68 ALDH1A1 (0.52) ROCK2ROCK1PARP14
SCHEMBL26186330 0.67 MAPK10 (0.45) MAPKAPK2
SCHEMBL6845262 0.67 TRIM24 (0.49)
SCHEMBL988281 0.66 ROCK2 (0.61) ROCK2ROCK1BRAF

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
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed