SCHEMBL8475075

SCHEMBL8475075

Cc1cc(OCCO)ccc1NC(=O)c1ccc2c(c1)[nH]c1cnccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.50
CHUK O15111 4/20 0.48
ICOSLG O75144 3/20 0.48
ICOS Q9Y6W8 3/20 0.48
MAOA P21397 1/20 0.47
MCHR1 Q99705 1/20 0.44
TEK Q02763 1/20 0.43
PARP1 P09874 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL28460754 0.78 MCHR1 (0.61) MCHR1MAPT
SCHEMBL7447526 0.77 NISCH (0.47) MAOAMCHR1PARP1MAPT
SCHEMBL16377295 0.70 PARP1 (0.76) ROCK2CHUKPARP1CSNK2A1DYRK1A
SCHEMBL14054138 0.70 KIF11 (0.51) CHUKMAOAMAPTDYRK1A
SCHEMBL7445054 0.69 MCHR1 (0.49) MCHR1MAPT
Hydrochloric Acid SCHEMBL7437697 0.68 MCHR1 (0.48) MCHR1MAPT
SCHEMBL17520087 0.67 CHUK (0.56) CHUKMAOAMAPTDYRK1A
SCHEMBL17783431 0.67 ROCK2 (1.00) ROCK2
SCHEMBL16377113 0.67 PARP1 (0.74) ROCK2CHUKMAOAPARP1CSNK2A1
SCHEMBL8324250 0.66 MAPT (0.53) ROCK2MCHR1MAPT

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-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed