SCHEMBL11223069

SCHEMBL11223069

CNC(=O)Cc1cccc(C(=O)c2ccccc2)c1N

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.58
LMNA P02545 1/20 0.58
PTGS1 P23219 1/20 0.58
ADORA1 P30542 1/20 0.58
PTGS2 P35354 1/20 0.58
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7525584 0.87 ABCB11 (0.73) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9999972 0.85 ABCB11 (0.61) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL30777846 0.84 ABCB11 (0.78) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL24249 0.84 ABCB11 (0.78) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL11461546 0.84 ABCB11 (0.57) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL9998546 0.83 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL9747734 0.83 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL9747027 0.83 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Nepafenac SCHEMBL93835 0.83 ABCB11 (0.62) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL42390 0.83 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US claimed
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US disclosed