SCHEMBL9250781

SCHEMBL9250781

Cc1cc(-c2ccc(CCC(=O)O)cc2)nn1-c1ccc(C(=N)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.56
ITGA2B P08514 8/20 0.56
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.41
TMPRSS15 P98073 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
RARG P13631 1/20 0.40

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
SCHEMBL9258299 1.00 ITGB3 (0.56) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9254891 0.89 ITGB3 (0.42) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9255111 0.89 ITGB3 (0.42) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9255123 0.84 ITGB3 (0.52) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9253041 0.81 ITGB3 (0.57) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9258646 0.81 ITGB3 (0.59) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9258841 0.81 ITGB3 (0.59) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9254707 0.80 ITGB3 (0.52) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7274111 0.80 ITGB3 (0.55) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7276120 0.80 ITGB3 (0.55) ITGB3ITGA2BF10F2PRSS1

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed