SCHEMBL8538685

SCHEMBL8538685

CCOC(=O)C(CNC(=O)Cn1ccn(-c2ccc(C(=N)N)cc2)c1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.39
F2 P00734 6/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NR5A1 Q13285 2/20 0.37
RORA P35398 1/20 0.37
RECQL P46063 1/20 0.37
CASR P41180 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
F3 P13726 2/20 0.36
POLB P06746 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL8540133 0.89 CPN1 (0.41) F7F2MAPTLMNATP53
SCHEMBL8538690 0.81 F2 (0.47) F2LMNAPRSS1
Trifluoroacetic Acid SCHEMBL7404770 0.76 ITGB3 (0.47) F7F2MAPTKDM4ELMNA
SCHEMBL8543639 0.76 ITGB3 (0.57) F2
SCHEMBL7395044 0.74 ITGB3 (0.53) MAPT
SCHEMBL8539444 0.74 ITGB3 (0.47) F2PRSS1
SCHEMBL9053763 0.73 ITGB3 (0.44) F2TP53PRSS1
Trifluoroacetic Acid SCHEMBL7398703 0.73 ITGB3 (0.39) F2PRSS1
SCHEMBL8543333 0.73 ITGB3 (0.49) MAPT
SCHEMBL7403166 0.72 ITGB3 (0.45) F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed