SCHEMBL7864759

SCHEMBL7864759

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)c3ccc(F)cc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GBA1 P04062 1/20 0.40
PKM P14618 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 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 0.93 ITGB3 (0.45) MEN1KMT2AMAPTCA1CA2
SCHEMBL7856528 0.92 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7864212 0.89 MEN1 (0.41) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7786198 0.87 ITGB3 (0.49) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7856460 0.87 CA1 (0.41) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7866912 0.86 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7863164 0.86 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL13715863 0.86 PKM (0.46) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7790184 0.85 MEN1 (0.48) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7856530 0.84 CA1 (0.54) MEN1KMT2AMAPTCA1CA2

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-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed
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 disclosed
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 disclosed