SCHEMBL13187948

SCHEMBL13187948

C/C=C/c1ccccc1CI

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 0.32
PTGER4 P35408 1/20 0.32
TBXA2R P21731 1/20 0.31
PTGDR Q13258 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL12429139 1.00 MEN1 (0.32) MEN1KMT2APTGER3PTGER2PTGER4
SCHEMBL16070751 0.80 PNMT (0.31)
SCHEMBL9494233 0.80 CHAT (0.40) MEN1KMT2APTGER3PTGER2PTGER4
SCHEMBL9494239 0.80 CHAT (0.40) MEN1KMT2APTGER3PTGER2PTGER4
SCHEMBL31094912 0.80 CHAT (0.40) MEN1KMT2APTGER3PTGER2PTGER4
SCHEMBL19188151 0.80 CHAT (0.40) MEN1KMT2APTGER3PTGER2PTGER4
SCHEMBL13782928 0.79 PTGER4 (0.34) PTGER3PTGER2PTGER4
SCHEMBL7959776 0.78 PNMT (0.41) MEN1KMT2APTGER3PTGER2PTGER4
SCHEMBL7959778 0.78 PNMT (0.41) MEN1KMT2APTGER3PTGER2PTGER4
SCHEMBL13782978 0.78 PTGER4 (0.32) PTGER3PTGER2PTGER4NFE2L2

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
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed