SCHEMBL5025115

SCHEMBL5025115

Cc1cc(C)cc(Nc2cc(N)ccc2C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GLA P06280 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RCE1 Q9Y256 1/20 0.50
SYK P43405 7/20 0.48
TYK2 P29597 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
ELAVL1 Q15717 1/20 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
SCHEMBL28181760 0.82 SIRT2 (0.60) SIRT2SIRT1
SCHEMBL5026846 0.76 JAK3 (0.50) SYKTYK2
SCHEMBL27952336 0.74 SIRT2 (0.54) AKR1C3AKR1C2MAPTSYKMEN1
SCHEMBL5025114 0.73 SYK (0.74) SYK
SCHEMBL10594653 0.73 MKNK2 (0.41) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL9650585 0.73 MAP4K4 (0.41) MAPTGAAKDM4EALDH1A1THRB
SCHEMBL1095966 0.71 ALDH1A1 (0.50) MAPTGAAKDM4EALDH1A1L3MBTL1
SCHEMBL9409101 0.69 MAPT (0.54) AKR1C3AKR1C2MAPTGAAKDM4E
SCHEMBL4647745 0.69 ALDH1A1 (0.55) AKR1C3AKR1C2MAPTGAAKDM4E
SCHEMBL9419698 0.69 NQO2 (0.47) MAPTGAAKDM4EALDH1A1THRB

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-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed