SCHEMBL9712447

SCHEMBL9712447

O=[C]c1ccc(F)cc1C(=O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
TP53 P04637 1/20 0.43
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
RORB Q92753 2/20 0.41
RORC P51449 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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 0.82 CES2 (0.52) RECQLMAPK14CES2CES1RORB
SCHEMBL9712400 0.82 MAPT (0.54) RECQLTP53MAPK13MAPK12MAPK11
SCHEMBL9037764 0.82 ALDH1A1 (0.42) TP53CES2CES1ALDH1A1MAPT
SCHEMBL11019993 0.80 RECQL (0.71) RECQLTP53MAPK13MAPK12MAPK11
SCHEMBL8201650 0.80 RECQL (0.49) RECQLTP53MAPK13MAPK12MAPK11
SCHEMBL9712588 0.79 RECQL (0.43) RECQLTP53CES2CES1RORB
SCHEMBL9712431 0.79 RECQL (0.43) RECQLCES2CES1PTGDR2RORB
SCHEMBL9712498 0.78 POLB (0.38) MAPK13MAPK12MAPK11MAPK14CES2
SCHEMBL11114080 0.78 MAPK13 (0.55) RECQLTP53MAPK13MAPK12MAPK11
SCHEMBL9712369 0.77 MDM2 (0.47) TP53CES2CES1GABRPGABRD

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