SCHEMBL12424890

SCHEMBL12424890

O=C1NC(c2cccc(Cl)c2F)=C2C(=O)NC(c3cccc(Cl)c3F)=C12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.44
NSD2 O96028 1/20 0.44
BCHE P06276 1/20 0.44
DAO P14920 1/20 0.44
STK10 O94804 9/20 0.43
SLK Q9H2G2 9/20 0.43
GSK3B P49841 6/20 0.41
NMUR2 Q9GZQ4 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
KMO O15229 2/20 0.37
GSK3A P49840 1/20 0.36
PRKCA P17252 1/20 0.36
TGM2 P21980 1/20 0.36
IDO1 P14902 1/20 0.35
KAT2B Q92831 1/20 0.35

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
SCHEMBL12424870 0.81 CA1 (0.38) CES1BCHESTK10SLKGSK3B
SCHEMBL12424905 0.81 CES1 (0.52) CES1NSD2BCHEDAOSTK10
SCHEMBL9340330 0.81 STK10 (0.57) CES1NSD2BCHEDAOSTK10
SCHEMBL12424930 0.76 CES1 (0.50) CES1STK10SLK
SCHEMBL12425026 0.75 PBRM1 (0.45) CES1NSD2BCHEDAOSTK10
SCHEMBL12424909 0.75 CES1 (0.52) CES1NSD2BCHEDAOSTK10
SCHEMBL12424862 0.73 GSK3B (0.44) GSK3BIDO1
SCHEMBL12424892 0.72 GRM5 (0.35) CES1DAOGSK3B
SCHEMBL12424889 0.71 STK10 (0.43) STK10SLKGSK3BPRKCATGM2
SCHEMBL12424887 0.69 PPOX (0.50) CES1GSK3BTGM2IDO1

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
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed