SCHEMBL7863164

SCHEMBL7863164

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)c3cc(Cl)cc(Cl)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDH1 O75874 2/20 0.41
PGR P06401 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7862046 0.91 ITGB3 (0.45) MEN1KMT2ACA1CA2MAPT
SCHEMBL7856528 0.88 MEN1 (0.43) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7864679 0.88 MEN1 (0.40) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7864681 0.88 MEN1 (0.40) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7864212 0.87 MEN1 (0.41) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7781109 0.87 ITGB3 (0.49) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7864234 0.86 PGR (0.41) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7864759 0.86 MEN1 (0.48) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL13715863 0.86 PKM (0.46) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7864762 0.83 CA1 (0.42) MEN1KMT2ACA1CA2MAPT

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
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed
EP-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed