SCHEMBL7653716

SCHEMBL7653716

O=C(O)CC(NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-])NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 5/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PTGDR Q13258 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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 0.86 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7651960 0.86 ITGB3 (0.43) ALDH1A1SMN1; SMN2L3MBTL1LMNAITGB3
SCHEMBL7653697 0.85 ITGB3 (0.52) SIRT6ITGB3ITGA2B
SCHEMBL7658105 0.84 ALDH1A1 (0.49) MEN1KMT2APOLBMAPTGAA
SCHEMBL7654428 0.83 ITGB3 (0.48) MAPTGAAPKMALDH1A1SMN1; SMN2
SCHEMBL6496651 0.83 KAT6A (0.47) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7653020 0.76 ALDH1A1 (0.43) MAPTPKMALDH1A1SMN1; SMN2LMNA
SCHEMBL7658571 0.76 ITGB3 (0.45) KMT2AGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL7655229 0.75 ITGB3 (0.46) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL6496673 0.72 KAT6A (0.42) 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 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