SCHEMBL7864679

SCHEMBL7864679

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDH1 O75874 2/20 0.39
PGR P06401 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
PKM P14618 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
NPY1R P25929 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
SCHEMBL7864681 1.00 MEN1 (0.40) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7863261 0.91 ITGB3 (0.43) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL7863268 0.91 ITGB3 (0.43) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL7861962 0.89 THRB (0.41) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7861960 0.89 THRB (0.41) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7863164 0.88 MEN1 (0.43) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7864234 0.84 PGR (0.41) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7856455 0.83 PKM (0.43) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL7856452 0.83 PKM (0.43) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL7856530 0.80 CA1 (0.54) MEN1KMT2ACA1CA2PKM

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