SCHEMBL8475992

SCHEMBL8475992

COc1ccc(Cl)cc1-c1c(N)c(=O)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.53
MAP4K4 O95819 1/20 0.53
LCK P06239 1/20 0.53
CSF1R P07333 1/20 0.53
PIM1 P11309 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
MAPK1 P28482 1/20 0.53
EPHA2 P29317 1/20 0.53
FLT3 P36888 1/20 0.53
FRK P42685 1/20 0.53
CLK2 P49760 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
LIMK1 P53667 1/20 0.53
STK3 Q13188 1/20 0.53
CAMK2B Q13554 1/20 0.53
CAMK2G Q13555 1/20 0.53
CAMK2D Q13557 1/20 0.53
DYRK1A Q13627 1/20 0.53

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
SCHEMBL8482604 0.85 CYP2C9 (0.51) ROCK2MAP4K4LCKCSF1RPIM1
SCHEMBL8475832 0.83 PIM1 (0.51) ROCK2MAP4K4LCKCSF1RPIM1
SCHEMBL7487055 0.83 CYP2C9 (0.73) ROCK2MAP4K4LCKCSF1RPIM1
SCHEMBL8476895 0.82 CYP2C9 (0.63) ROCK2MAP4K4LCKCSF1RPIM1
SCHEMBL7486197 0.81 PARP1 (0.45) ROCK2MAP4K4LCKCSF1RPIM1
SCHEMBL8480851 0.81 CYP2C9 (0.50) ROCK2MAP4K4LCKCSF1RPIM1
SCHEMBL8479083 0.81 GSK3B (0.56) ROCK2MAP4K4LCKCSF1RPIM1
SCHEMBL22127114 0.80 EP300 (0.49) KDM4EALDH1A1MAP2MEN1KMT2A
SCHEMBL7485354 0.79 CYP2C9 (0.48) ROCK2MAP4K4LCKCSF1RPIM1
SCHEMBL8480726 0.79 CYP2C9 (0.55) ROCK2MAP4K4LCKCSF1RPIM1

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
US-5972961-A ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES; SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-26 US disclosed