SCHEMBL6174408

SCHEMBL6174408

O=C1CCc2cc(C(O)C(O)c3ccncc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
CYP1A2 P05177 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD17B1 P14061 3/20 0.43
CYP19A1 P11511 6/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PRKCI P41743 1/20 0.38
GRM5 P41594 1/20 0.38
PTGS2 P35354 1/20 0.37
PBRM1 Q86U86 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL14519206 0.82 CYP11B2 (0.37) CYP11B1CYP11B2CYP19A1ALDH1A1LMNA
SCHEMBL5120274 0.75 BRAF (0.37) CYP11B1CYP11B2CYP19A1ALDH1A1LMNA
SCHEMBL1856486 0.72 HSD17B10 (0.53) CYP11B1CYP11B2CYP1A2CASP1CASP7
SCHEMBL31137714 0.72 CASP1 (0.53) CYP11B1CYP11B2CYP1A2MKNK1CASP1
SCHEMBL20710609 0.70 CYP3A4 (0.48) CYP11B1CYP11B2CYP1A2HSD17B10CYP19A1
SCHEMBL1892118 0.70 CYP3A4 (0.48) CYP11B1CYP11B2CYP1A2HSD17B10CYP19A1
SCHEMBL8002224 0.66 CASP1 (0.42) CYP11B1CYP11B2CYP1A2CASP1CASP7
SCHEMBL4323285 0.65 CYP1A2 (0.53) CYP11B1CYP11B2CYP1A2MKNK1CASP1
SCHEMBL29792666 0.65 CYP1A2 (0.53) CYP11B1CYP11B2CYP1A2MKNK1CASP1
SCHEMBL389710 0.65 MAOB (0.78) CASP1CASP7HSD17B10HSD17B1CYP19A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397354-B1 IMIDAZOLE-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-10-26 EP disclosed
EP-1318992-B1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-07-27 EP disclosed