SCHEMBL10772007

SCHEMBL10772007

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL117142 0.89 HTT (0.46) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9720183 0.86 HTT (0.42) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL393744 0.79 HTT (0.43) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL1334752 0.78 HTT (0.39) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9712137 0.78 ALDH1A1 (0.44) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL3795835 0.78 POLB (0.39) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL27612200 0.78 HTT (0.50) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL27593883 0.77 HTT (0.42) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL5610844 0.77 DHFR (0.44) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL42756 0.76 ALDH1A1 (0.46) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245864-A2 Cyclohexanedimethanol/diamine mixtures as RIM extenders THE DOW CHEMICAL COMPANY (US) 1987-11-19 EP claimed
EP-0248254-A2 Process for bonding laminates MOBAY CORPORATION (US) 1987-12-09 EP disclosed
EP-0185369-A2 Polyamide-polyurea polymers THE DOW CHEMICAL COMPANY (US) 1986-06-25 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
EP-0119471-A2 An active hydrogen-containing composition which provides mold release properties to a molded article, and a process for preparing molded polymeric products from the active hydrogen-containing composition THE DOW CHEMICAL COMPANY (US) 1984-09-26 EP disclosed
EP-0093862-A1 Polyurea reaction injection molded elastomers TEXACO DEVELOPMENT CORPORATION (US) 1983-11-16 EP disclosed
EP-0075130-A2 Improved reaction injection molding process THE DOW CHEMICAL COMPANY (US) 1983-03-30 EP disclosed
EP-0033498-A1 A process for preparing reaction injection molded polyurethane compositions employing aliphatic amine chain extenders THE DOW CHEMICAL COMPANY (US) 1981-08-12 EP disclosed