SCHEMBL95507

SCHEMBL95507

O=C(Nc1ccc(C[CH]c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)cc1)c1ccccc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMO Q99835 3/20 0.48
MT-CO2 P00403 6/20 0.46
ITGB1 P05556 5/20 0.45
ITGA4 P13612 5/20 0.45
TOP1 P11387 1/20 0.45
PTGS2 P35354 1/20 0.45
KLKB1 P03952 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3791414 0.72 SMO (0.61) MEN1KMT2ASMOJAK2TYK2
SCHEMBL5258149 0.72 ITGB1 (0.71) ITGB1ITGA4
SCHEMBL5258142 0.72 ITGB1 (0.71) ITGB1ITGA4
SCHEMBL4154853 0.72 TYK2 (0.71) MEN1KMT2ASMOPTGS2JAK2
SCHEMBL6602761 0.71 TYK2 (0.61) KMT2ASMOITGB1ITGA4JAK2
SCHEMBL5260925 0.70 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL5260927 0.70 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL3237318 0.70 MEN1 (0.75) MEN1KMT2AMT-CO2RXFP1SIRT2
SCHEMBL14825061 0.70 SMO (0.76) MEN1KMT2ASMOJAK2TYK2
SCHEMBL23864372 0.69 MEN1 (0.65) MEN1KMT2AMT-CO2TOP1PTGS2

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
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed