SCHEMBL9602783

SCHEMBL9602783

C=C(C)Cc1cc(CC)c(N)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
BACE1 P56817 1/20 0.34
DHFR P00374 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL9602780 0.89 ALDH1A1 (0.41) HTTPOLBBACE1DHFRALDH1A1
SCHEMBL9602215 0.85 GPR84 (0.33) DHFRGPR84
SCHEMBL10046767 0.76 SHBG (0.46) HTTPOLBBACE1DHFRALDH1A1
SCHEMBL112571 0.75 HTT (0.52) HTTPOLBBACE1DHFRALDH1A1
SCHEMBL9603220 0.75 ALDH1A1 (0.42) POLBALDH1A1
SCHEMBL48459 0.73 HTT (0.50) HTTPOLBBACE1DHFRALDH1A1
SCHEMBL842010 0.73 HTT (0.50) HTTPOLBBACE1DHFRALDH1A1
SCHEMBL27954173 0.72 HTT (0.48) HTTPOLBBACE1DHFRALDH1A1
SCHEMBL11414305 0.71 SKP2 (0.46) HTTPOLBBACE1ALDH1A1GPR84
SCHEMBL14213262 0.71 SHBG (0.45) DHFRGABRA1GABRB2

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
US-5198516-A THERMALLY STABLE BISIMIDO/P-ALLYLANILINE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed