SCHEMBL7396164

SCHEMBL7396164

N=C(N)c1ccc(CCCC[C@H]2C[C@@H](CS(=O)(=O)c3ccccc3)CC(=O)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.40
PRKCD Q05655 4/20 0.40
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
PRKCH P24723 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
F2 P00734 7/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL7406684 1.00 PRKCA (0.40) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7399369 0.83 ITGB3 (0.42) PRKCAPRKCDITGB3ITGA2BF2
SCHEMBL7396167 0.83 PRKCA (0.38) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7394671 0.82 MAPT (0.44) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7394811 0.82 MAPT (0.44) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7394664 0.82 MAPT (0.44) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7394672 0.82 MAPT (0.44) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7394809 0.82 MAPT (0.44) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7398691 0.81 F2 (0.43) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7400741 0.81 F2 (0.43) PRKCAPRKCDPRKCGPRKCBPRKCH

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
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO claimed
US-5646183-A Phenyl amidine alkanoic acids useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-07-08 US disclosed
US-5612355-A Phenyl amidine lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-03-18 US disclosed
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed