SCHEMBL7863261

SCHEMBL7863261

NC(=O)/N=C(/N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PKM P14618 2/20 0.41
HTR6 P50406 2/20 0.40
POLB P06746 1/20 0.40
PFKFB3 Q16875 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7863268 1.00 ITGB3 (0.43) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7861962 0.91 THRB (0.41) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7864679 0.91 MEN1 (0.40) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7861960 0.91 THRB (0.41) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7864681 0.91 MEN1 (0.40) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7856530 0.88 CA1 (0.54) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7856455 0.87 PKM (0.43) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7856452 0.87 PKM (0.43) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7862046 0.86 ITGB3 (0.45) ITGB3ITGAVMEN1KMT2ACA1
SCHEMBL7863291 0.86 ITGB3 (0.45) ITGB3ITGAVMEN1KMT2ACA1

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 3 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