SCHEMBL16634602

SCHEMBL16634602

O=c1[nH]c2ccccc2n1-c1ccc(S(=O)(=O)NC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 3/20 0.50
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
PIK3CG P48736 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
TNKS O95271 1/20 0.42
RB1 P06400 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL699273 0.73 LMNA (0.65) KDM4ELMNAALDH1A1MAPTTNKS
SCHEMBL29367625 0.73 LMNA (0.65) KDM4ELMNAALDH1A1MAPTTNKS
SCHEMBL21463566 0.72 AURKA (0.44) KDM4ELMNAMAPTTNKS
SCHEMBL30615531 0.72 AURKA (0.44) KDM4ELMNAMAPTTNKS
SCHEMBL23119669 0.70 LMNA (0.67) KDM4ESMN1; SMN2LMNAMAPTTNKS
SCHEMBL4098385 0.70 AURKA (0.56) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL9994946 0.70 HTT (0.56) KDM4ELMNAMAPTTNKSMEN1
SCHEMBL8156714 0.70 GABRP (0.52) KDM4ELMNAMAPTTNKSMEN1
SCHEMBL8355420 0.69 KDM4E (0.67) PARGKDM4ESMN1; SMN2RECQLLMNA
SCHEMBL2225334 0.69 KDM4E (0.67) PARGKDM4ESMN1; SMN2RECQLLMNA

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed