SCHEMBL7652796

SCHEMBL7652796

Cc1cc(C)c(S(=O)(=O)NC(CC(=O)O)NC(=O)c2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ITGAV P06756 3/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
F10 P00742 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7653514 0.90 LMNA (0.35) PKMALDH1A1LMNAKDM4EHTT
SCHEMBL7655229 0.88 ITGB3 (0.46) PKMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7658791 0.85 ITGB3 (0.44) ALDH1A1TSHRMAPTHPGDITGAV
SCHEMBL7652791 0.84 ITGAV (0.54) ITGAVITGB3ITGA2B
SCHEMBL7653366 0.82 MAPT (0.42) PKMALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL7653508 0.79 ITGAV (0.43) LMNAITGAVITGB3ITGA2B
SCHEMBL7658571 0.78 ITGB3 (0.45) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL7655263 0.78 DPP4 (0.42) PKMALDH1A1LMNAKDM4EHTT
SCHEMBL7651398 0.76 SLC6A7 (0.43) ALDH1A1LMNASMN1; SMN2TSHRMAPT
SCHEMBL383239 0.75 ITGB3 (0.55) PKMALDH1A1LMNASMN1; SMN2ITGAV

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