SCHEMBL11397353

SCHEMBL11397353

CC(C(=O)O)n1c(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 1/20 0.37
SLC6A9 P48067 2/20 0.36
KDM4E B2RXH2 2/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
KMT2A Q03164 2/20 0.34
USP5 P45974 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CHRM1 P11229 1/20 0.33
PTGS1 P23219 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3507651 0.70 CSNK2A2 (0.43) ALDH1A1MAPTKDM4ECSNK2A2CSNK2B
SCHEMBL2032749 0.70 CSNK2A2 (0.43) ALDH1A1MAPTKDM4ECSNK2A2CSNK2B
SCHEMBL150034 0.68 KMT2A (0.53) ALDH1A1MAPTKDM4EKMT2AUSP5
SCHEMBL18180382 0.68 KMT2A (0.45) KDM4EKMT2AUSP5GAACASP1
SCHEMBL28937167 0.66 ALDH1A1 (0.43) ALDH1A1PTGDR2MAPTKDM4ECSNK2A2
SCHEMBL11543182 0.65 ALDH1A1 (0.43) ALDH1A1PTGDR2MAPTKDM4ECSNK2A2
SCHEMBL7336986 0.65 KDM4E (0.45) ALDH1A1MAPTKDM4ECSNK2A2CSNK2B
SCHEMBL994533 0.64 KMT2A (0.53) ALDH1A1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL6526383 0.62 CSNK2A2 (0.37) ALDH1A1MAPTKDM4ECSNK2A2CSNK2B
SCHEMBL27524563 0.62 CSNK2A2 (0.37) ALDH1A1MAPTKDM4ECSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4278685-A DICHLORO-1-PYRROLYLALKANAMIDES, ANTIULCER AGENTS, ANTISECRETORY AGENTS JOHN WYETH & BROTHER LIMITED (GB) 1981-07-14 US disclosed
US-4140793-A HYPOGLYCEMIC AGENTS, ANTIULCER AGENTS JOHN WYETH & BROTHER, LTD. (GB) 1979-02-20 US disclosed