SCHEMBL7652012

SCHEMBL7652012

O=C(O)CC(NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1Cl)NS(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
PTGDR Q13258 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR27 Q9NS67 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL7651960 0.89 ITGB3 (0.43) SMN1; SMN2LMNAPTGDRALDH1A1MAPK1
SCHEMBL7653716 0.86 SIRT6 (0.39) SMN1; SMN2LMNAMEN1KMT2APTGDR
SCHEMBL7654428 0.86 ITGB3 (0.48) SMN1; SMN2LMNAALDH1A1MAPK1ITGB3
SCHEMBL6496651 0.85 KAT6A (0.47) SMN1; SMN2LMNAKMT2AKDRALDH1A1
SCHEMBL7649780 0.84 ITGB3 (0.44) SMN1; SMN2FLT1FLT4KDRITGB3
SCHEMBL7658571 0.84 ITGB3 (0.45) SMN1; SMN2LMNAKMT2AALDH1A1MAPK1
SCHEMBL7651973 0.83 ITGB3 (0.54) SMN1; SMN2LMNAUSP2ITGB3ITGA2B
SCHEMBL7653020 0.79 ALDH1A1 (0.43) SMN1; SMN2LMNAALDH1A1MAPK1ITGB3
SCHEMBL7655229 0.78 ITGB3 (0.46) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL7654380 0.77 DRD2 (0.44) SMN1; SMN2LMNAMEN1KMT2AUSP2

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