SCHEMBL7091404

SCHEMBL7091404

O=C(O)CC1Cc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2Cc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.71
ITGAV P06756 14/20 0.71
ITGA2B P08514 3/20 0.55
TSHR P16473 2/20 0.51
MAPK10 P53779 2/20 0.51
ROCK2 O75116 1/20 0.51
ITGB5 P18084 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL7091035 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8323660 0.82 ITGB3 (0.59) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL6951803 0.82 ITGB3 (0.73) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL5486017 0.80 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB5POLB
SCHEMBL7037287 0.75 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5
SCHEMBL7442340 0.73 ITGB3 (0.59) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL7090937 0.73 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB5
SCHEMBL7917702 0.73 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8468930 0.73 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7080320 0.73 MAPT (0.73) TSHRMAPK10MAPTPOLBSMN1; SMN2

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
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed