SCHEMBL7861960

SCHEMBL7861960

NC(=O)/N=C(/N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)c3cc(F)cc(F)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.41
EEF2K O00418 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
GBA1 P04062 2/20 0.39
PKM P14618 2/20 0.38
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.36
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
SCHEMBL7861962 1.00 THRB (0.41) THRBMAPTEEF2KMEN1KMT2A
SCHEMBL7863261 0.91 ITGB3 (0.43) MAPTMEN1KMT2AL3MBTL1CA1
SCHEMBL7863268 0.91 ITGB3 (0.43) MAPTMEN1KMT2AL3MBTL1CA1
SCHEMBL7864681 0.89 MEN1 (0.40) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7864679 0.89 MEN1 (0.40) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7856528 0.88 MEN1 (0.43) THRBMAPTEEF2KMEN1KMT2A
SCHEMBL7861775 0.84 EEF2K (0.43) THRBMAPTEEF2KMEN1KMT2A
SCHEMBL7856455 0.83 PKM (0.43) MAPTMEN1KMT2AL3MBTL1CA1
SCHEMBL7856452 0.83 PKM (0.43) MAPTMEN1KMT2AL3MBTL1CA1
SCHEMBL7863252 0.81 ITGB3 (0.58) MAPTEEF2KCA1CA2ITGB3

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 2 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