SCHEMBL11707151

SCHEMBL11707151

Nc1cccc(C(F)=C(F)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
PBRM1 Q86U86 1/20 0.47
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ENPP2 Q13822 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11707144 1.00 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL29433355 0.79 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL22670326 0.79 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL2134942 0.74 PBRM1 (0.61) F2PLGPRSS1PRSS2PRSS3
SCHEMBL10954653 0.74 F2 (0.52) F2PLGPRSS1PRSS2PRSS3
SCHEMBL8344640 0.74 PBRM1 (0.61) F2PLGPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL10952619 0.72 F2 (0.55) F2PLGPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL10519739 0.72 PBRM1 (0.59) F2PLGPRSS1PRSS2PRSS3
SCHEMBL23706124 0.72 TDP1 (0.42) F2CYP3A4RECQLALDH1A1KDM4E
SCHEMBL23706122 0.72 TDP1 (0.42) F2CYP3A4RECQLALDH1A1KDM4E

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-4064239-A LIVER FLUKES MERCK & CO., INC. (US) 1977-12-20 US disclosed