SCHEMBL11008908

SCHEMBL11008908

CCc1cc(N)c(CC)c(Br)c1N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
DHFR P00374 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
SCHEMBL8153959 0.80 HTT (0.42) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL12797845 0.80 HTT (0.42) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL3672623 0.79 GABRA1 (0.37) HTTPOLBGABRA1GABRB2ALDH1A1
Hydrochloric Acid SCHEMBL4771781 0.78 HTT (0.41) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL10431866 0.77 ALDH1A1 (0.41) HTTPOLBALDH1A1CYP1A2ALOX15
SCHEMBL27593883 0.76 HTT (0.42) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL9799254 0.76 POLB (0.38) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL16556091 0.75 HTT (0.38) HTTPOLBGABRA1GABRB2ALDH1A1
SCHEMBL11147869 0.73 ALDH1A1 (0.42) HTTPOLBGABRA1GABRB2ALDH1A1
SCHEMBL394710 0.73 NOS3 (0.39) HTTPOLBGABRA1GABRB2ALDH1A1

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-0135017-A1 Process for the stabilisation of poly(phenylene ether) solutions BASF Aktiengesellschaft (DE) 1985-03-27 EP disclosed