SCHEMBL4556948

SCHEMBL4556948

Cc1cc(N)ccc1Cc1ccc(N)cc1C.Nc1cc(Cl)c(N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
GAA P10253 2/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 4/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CASP1 P29466 3/20 0.42
CD44 P16070 1/20 0.42
PLA2G7 Q13093 1/20 0.40
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
PDE10A Q9Y233 1/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
CA1 P00915 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
SCHEMBL272096 0.86 ALDH1A1 (0.56) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL29673045 0.86 ALDH1A1 (0.56) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL15669917 0.78 ALDH1A1 (0.44) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL8005592 0.78 ALDH1A1 (0.44) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL20085335 0.77 TAAR1 (0.50) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL31175768 0.75 ALDH1A1 (0.52) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL578684 0.75 ALDH1A1 (0.52) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL18469102 0.74 TSHR (0.47) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL352023 0.73 CYP3A4 (0.56) CYP3A4GAAALDH1A1TSHRMAPT
SCHEMBL31175763 0.73 CYP3A4 (0.56) CYP3A4GAAALDH1A1TSHRMAPT

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-2051796-A1 METHOD OF MEMBRANE SEPARATION OF AN OLEFIN CONTAINED IN A MIXTURE OF HYDROCARBONS IFP (FR) 2009-04-29 EP disclosed
WO-2008017743-A1 METHOD OF MEMBRANE SEPARATION OF AN OLEFIN CONTAINED IN A MIXTURE OF HYDROCARBONS IFP (FR) 2008-02-14 WO disclosed