SCHEMBL10522012

SCHEMBL10522012

CCCCCc1nc2c(c(=O)n(CC(=O)O)c(=O)n2C)n1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ADORA2B P29275 1/20 0.51
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28033011 0.82 CYP2C19 (0.47) POLBMAPK1
SCHEMBL15075374 0.81 ALOX15 (0.49) POLBTSHRMAPK1
SCHEMBL15071609 0.77 CYP1A2 (0.56) L3MBTL1TP53MAPK1
SCHEMBL28064034 0.76 CYP1A2 (0.57)
SCHEMBL19969448 0.75 RXFP1 (0.59)
SCHEMBL9287679 0.74 ADORA2A (0.53) ADORA2B
SCHEMBL19969451 0.73 RXFP1 (0.57)
SCHEMBL8004115 0.73 LMNA (0.55) LMNANPSR1ADORA2BL3MBTL1TP53
SCHEMBL7606568 0.71 CYP1A2 (0.50) LMNANPSR1ADORA2BL3MBTL1TP53
SCHEMBL28033009 0.71 MAPK1 (0.59) NPSR1MAPTTSHRMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198190-B1 COMPOUNDS HAVING ANTIPLATELET AGGREGATION ACTIVITY, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1989-05-31 EP disclosed
US-4737502-A DIMETHYLXANTHINYL-SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENO(3,2-C)P PYRIDINES ELLEM INDUSTRIA FARMACEUTICA S.P.A. (IT) 1988-04-12 US disclosed
EP-0199190-A2 Separating element for separating solid particles, suspended in a gaseous current, by centrifugal force in a cylindrical whirl chamber Anton Piller GmbH & Co. KG (DE) 1986-10-29 EP disclosed
EP-0198190-A2 Compounds having antiplatelet aggregation activity, a process for the preparation thereof and pharmaceutical compositions containing them ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1986-10-22 EP disclosed