SCHEMBL9009507

SCHEMBL9009507

Nc1ccc(C#Cc2ccc3c(c2)C(=O)N(CCC(=O)OC(=O)C(F)(F)F)CC(=O)N3Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
MDM2 Q00987 2/20 0.33
CHRM5 P08912 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SLC5A2 P31639 2/20 0.31
ALDH3A1 P30838 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
GABRA1 P14867 1/20 0.30

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
SCHEMBL7363243 0.91 ITGB3 (0.55) ITGB3ITGA2BHDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL9009502 0.88 ITGB3 (0.51) ITGB3ITGA2BMDM2HDAC1HDAC2
SCHEMBL8959452 0.81 ITGB3 (0.54) ITGB3ITGA2BHDAC1HDAC6GABRA1
SCHEMBL8959427 0.81 ITGB3 (0.41) ITGB3ITGA2BHDAC1HDAC2HDAC8
SCHEMBL7325755 0.80 ITGB3 (0.56) ITGB3ITGA2BHDAC1HDAC6GABRA1
Trifluoroacetic Acid SCHEMBL7363241 0.79 ITGB3 (0.66) ITGB3ITGA2BMDM2HDAC1HDAC2
SCHEMBL9009406 0.79 ITGB3 (0.61) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7356626 0.79 SIRT2 (0.35) CHRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL7330016 0.78 ITGB3 (0.44) ITGB3ITGA2BMDM2CA12CA1
SCHEMBL7325550 0.78 ITGB3 (0.46) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed