SCHEMBL13891702

SCHEMBL13891702

COc1ccccc1-c1nc(S(C)(=O)=O)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 3/20 0.41
STAT3 P40763 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
TACR1 P25103 5/20 0.37
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.35
CETP P11597 1/20 0.35
ADRB2 P07550 1/20 0.35
FPR1 P21462 1/20 0.35
GPR183 P32249 1/20 0.35
APLNR P35414 1/20 0.35
GLP1R P43220 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
GPR35 Q9HC97 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
SCHEMBL5231461 0.85 HPGD (0.42) KDM4EHPGDLMNASTAT3NPSR1
SCHEMBL13891759 0.85 TACR1 (0.37) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL13891738 0.85 TACR1 (0.41) KDM4ELMNASTAT3NPSR1MITF
SCHEMBL13891616 0.85 SDHB (0.40) TACR1PTGS2ADRB2FPR1GPR183
SCHEMBL13891766 0.83 KDM4E (0.38) KDM4EHPGDLMNATACR1HSD17B10
SCHEMBL5530937 0.82 CETP (0.39) KDM4EHPGDLMNATACR1HSD17B10
SCHEMBL5532435 0.80 GPBAR1 (0.47) TACR1CETPADRB2FPR1GPR183
SCHEMBL13891740 0.78 TLR7 (0.36) L3MBTL1MEN1TSHRKMT2ASDHB
SCHEMBL5534321 0.77 NPC1 (0.38) HPGDLMNAHTTTACR1SMN1; SMN2
SCHEMBL13891760 0.77 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR

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-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 EP disclosed