SCHEMBL9258823

SCHEMBL9258823

NN=Cc1ccc(NC(=O)C2CCCC2C(=O)NCC(C(=O)O)c2ncco2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL9257997 0.98 GAA (0.37) GAAMAPTRAB9AHTTLMNA
SCHEMBL9258802 0.84 F2 (0.45) GAAMAPTRAB9ACYP2C19
SCHEMBL9257981 0.82 F2 (0.43) GAAMAPTRAB9AHTTLMNA
SCHEMBL9258807 0.75 GAA (0.38) GAAMAPTRAB9AHTTLMNA
SCHEMBL7361744 0.72 RAB9A (0.62) GAAMAPTRAB9AHTTLMNA
SCHEMBL9559016 0.69 GAA (0.42) GAAMAPTRAB9AHTTLMNA
SCHEMBL9559008 0.67 KCNQ3 (0.42) GAAMAPTRAB9AHTTLMNA
SCHEMBL9559013 0.67 GAA (0.44) GAAMAPTRAB9AHTTLMNA
SCHEMBL9425707 0.67 ITGA4 (0.40) GAAMAPTRAB9ALMNAKDM4E
SCHEMBL9425694 0.66 TRPM8 (0.38) GAAMAPTRAB9AHTTLMNA

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
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed