SCHEMBL9257981

SCHEMBL9257981

N=C(N)c1ccc(NC(=O)C2CCCCC2C(=O)NCC(C(=O)O)c2ncco2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.43
CYP2C19 P33261 1/20 0.41
KLK5 Q9Y337 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 3/20 0.38
F7 P08709 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
LMNA P02545 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
SCHEMBL9258802 0.98 F2 (0.45) F2CYP2C19KLK5GAAMAPT
SCHEMBL9257997 0.84 GAA (0.37) CYP2C19GAAMAPTRAB9AHTT
SCHEMBL9258823 0.82 GAA (0.35) CYP2C19GAAMAPTRAB9AHTT
SCHEMBL9262498 0.80 F2 (0.45) F2CYP2C19KLK5GAAMAPT
SCHEMBL9258794 0.76 F2 (0.44) F2CYP2C19KLK5GAAMAPT
SCHEMBL9264866 0.76 F2 (0.42) F2CYP2C19KLK5F7PLAU
SCHEMBL9264977 0.75 F2 (0.41) F2CYP2C19KLK5RAB9AF7
SCHEMBL9263614 0.74 KLK5 (0.40) F2KLK5F7
SCHEMBL7352341 0.74 F7 (0.47) F2F7PLAUHPN
SCHEMBL7344436 0.74 F7 (0.47) F2F7PLAUHPN

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