SCHEMBL11225850

SCHEMBL11225850

COC(=O)Cc1cc(N)c(Cl)c(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
GAA P10253 3/20 0.60
GFER P55789 1/20 0.60
HSP90AB1 P08238 1/20 0.56
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SLC7A5 Q01650 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
ABL1 P00519 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
PDK2 Q15119 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5093783 0.83 ALDH1A1 (0.67) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL11216233 0.83 ALDH1A1 (0.58) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL11229505 0.82 MAPT (0.44) ALDH1A1GAAGFERHSD17B10LMNA
SCHEMBL14318546 0.81 HSP90AB1 (0.56) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL27990306 0.81 TSHR (0.53) ALDH1A1GAAGFERHSP90AB1RAB9A
SCHEMBL3784804 0.81 ALDH1A1 (0.69) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL21891794 0.80 HSP90AB1 (0.75) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL1873789 0.79 HSP90AB1 (0.62) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL2133003 0.79 HSP90AB1 (0.62) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL7237331 0.78 ALDH1A1 (0.75) ALDH1A1GAAGFERHSP90AB1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986144-A Polyurethane chain extender 2- (3, 5-diamino-4-chlorophenyl) methyl acetate and preparation method thereof 中煤科工开采研究院有限公司 2024-05-07 CN claimed
CN-117986144-A Polyurethane chain extender 2- (3, 5-diamino-4-chlorophenyl) methyl acetate and preparation method thereof 中煤科工开采研究院有限公司 2024-05-07 CN disclosed
CN-117986144-A Polyurethane chain extender 2- (3, 5-diamino-4-chlorophenyl) methyl acetate and preparation method thereof 中煤科工开采研究院有限公司 2024-05-07 CN disclosed
CN-117986144-A Polyurethane chain extender 2- (3, 5-diamino-4-chlorophenyl) methyl acetate and preparation method thereof 中煤科工开采研究院有限公司 2024-05-07 CN disclosed
US-4327204-A Process for producing polyurethane elastomer by mixing a hardener composition with an isocyanate composition IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-04-27 US disclosed
US-4246425-A FOR POLYURETHANE ELASTOMERS, AND PHARMACEUTICAL, AGROCHEMICAL INTERMEDIATE IHARA CHEMICAL INDUSTRY CO., LIMITED (JP) 1981-01-20 US disclosed