SCHEMBL9712431

SCHEMBL9712431

N#Cc1ccc([C]=O)c(C(=O)c2ccccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
CYP11B1 P15538 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39

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
SCHEMBL6143249 0.80 CES2 (0.52) RECQLCES2CES1ALDH1A1GABRP
SCHEMBL9712447 0.79 RECQL (0.45) RECQLPTGDR2CES2CES1ALDH1A1
SCHEMBL9712400 0.79 MAPT (0.54) RECQLCES2CES1ALDH1A1HPGD
SCHEMBL9712588 0.77 RECQL (0.43) RECQLCES2CES1ALDH1A1GABRP
SCHEMBL50416 0.72 CES2 (0.71) RECQLCES2CES1ALDH1A1GABRP
SCHEMBL29399311 0.72 CES2 (0.71) RECQLCES2CES1ALDH1A1GABRP
SCHEMBL1312683 0.70 CES2 (0.44) RECQLCES2CES1ALDH1A1HPGD
SCHEMBL9712409 0.70 CES2 (0.44) RECQLCES2CES1ALDH1A1HPGD
SCHEMBL6535090 0.70 CES2 (0.44) RECQLCES2CES1ALDH1A1HPGD
SCHEMBL3963731 0.70 TMPRSS4 (0.38) ALDH1A1KMT2ALMNA

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-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed