SCHEMBL9720183

SCHEMBL9720183

CCc1cc(CC)c(N)c(CI)c1N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10772007 0.86 HTT (0.39) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL117142 0.82 HTT (0.46) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL27612200 0.82 HTT (0.50) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL393744 0.78 HTT (0.43) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL3802981 0.76 HTT (0.42) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL1334971 0.76 HTT (0.42) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL26865350 0.74 ALDH1A1 (0.42) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL15629841 0.74 POLB (0.34) HTTPOLB
SCHEMBL3795835 0.73 POLB (0.39) HTTPOLBALDH1A1MAPTNOS3
SCHEMBL3802566 0.73 HTT (0.39) HTTPOLBALDH1A1MAPTNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106935-A Quasiprepolymer of polycarbonate- or -etherurethanes; polyureas TEXACO CHEMICAL COMPANY (US) 1992-04-21 US disclosed
EP-0175447-A1 Process for the production of reaction injection molded elastomers TEXACO DEVELOPMENT CORPORATION (US) 1986-03-26 EP disclosed
EP-0173888-A1 A process for the production of polyurethane elastomers and an isocyanate-reactive composition to be used in this process MOBAY CORPORATION (US) 1986-03-12 EP disclosed