SCHEMBL7651960

SCHEMBL7651960

O=C(O)CC(NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1F)NS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
ITGAV P06756 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
KAT6A Q92794 1/20 0.38
APP P05067 1/20 0.37
PTGDR Q13258 1/20 0.37

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
SCHEMBL7652012 0.89 SMN1; SMN2 (0.41) ITGB3ITGA2BALDH1A1SMN1; SMN2MAPK1
SCHEMBL7653716 0.86 SIRT6 (0.39) ITGB3ITGA2BALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7654428 0.86 ITGB3 (0.48) ITGB3ITGA2BITGAVKDM4EALDH1A1
SCHEMBL6496651 0.85 KAT6A (0.47) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7654318 0.84 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7655229 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVALDH1A1SMN1; SMN2
SCHEMBL7651943 0.83 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL6496673 0.80 KAT6A (0.42) ITGB3ITGA2BITGAVKAT6A
SCHEMBL7653020 0.79 ALDH1A1 (0.43) ITGB3ITGA2BALDH1A1SMN1; SMN2MAPK1
SCHEMBL7658571 0.79 ITGB3 (0.45) ITGB3ITGA2BITGAVKDM4EALDH1A1

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
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed