SCHEMBL13940909

SCHEMBL13940909

O=C1Nc2ccc(S(=O)(=O)Nc3ccc(NS(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)cc3)c3cccc1c23

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.86
KMT2A Q03164 4/20 0.80
MEN1 O00255 3/20 0.80
MAPT P10636 4/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
PTPRB P23467 1/20 0.75
CDK5 Q00535 1/20 0.73
CDK5R1 Q15078 1/20 0.73
TNF P01375 1/20 0.73
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA9 Q16790 1/20 0.72
POLB P06746 4/20 0.71
GAA P10253 2/20 0.71
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 3/20 0.68
TP53 P04637 2/20 0.65
HSD17B10 Q99714 2/20 0.65
ALPL P05186 1/20 0.64

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
SCHEMBL13941123 0.94 RORC (0.77) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL14919686 0.94 RORC (0.77) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13941130 0.88 MAPT (0.71) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13941122 0.88 TNF (0.82) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13941129 0.88 RORC (0.74) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6037137 0.86 POLB (0.80) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL15798277 0.84 CDK5 (1.00) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13941140 0.84 MAPT (0.72) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13941133 0.82 MAPT (0.78) RORCKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13941127 0.80 TNF (0.69) RORCKMT2AMEN1TNFCA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009016081-A2 BENZOIND0L-2-ONE DERIVATIVES FOR USE IN THERAPY ACTAR AB (SE) 2009-02-05 WO disclosed