SCHEMBL8499992

SCHEMBL8499992

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(-c3c(F)c(F)c(CCC(=O)O)c(F)c3F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
THRB P10828 1/20 0.40
PFKFB3 Q16875 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B1 P14061 5/20 0.39
HSD17B2 P37059 5/20 0.39
PKM P14618 1/20 0.39
FABP1 P07148 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL8499997 0.89 PFKFB3 (0.41) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8500575 0.84 MEN1 (0.42) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8501754 0.82 MEN1 (0.44) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8501517 0.81 PFKFB3 (0.46) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8496957 0.81 MEN1 (0.43) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL14532378 0.81 ITGB3 (0.57) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8371139 0.81 ITGB3 (0.57) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL7376808 0.79 ALDH1A1 (0.55) MEN1KMT2ACA1CA2MAPT
SCHEMBL6366657 0.77 MAPT (0.46) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8371218 0.75 ITGB3 (0.61) MEN1KMT2ATHRBMAPTPKM

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-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-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