SCHEMBL7954904

SCHEMBL7954904

Cc1ccccc1Sc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ENPP1 P22413 1/20 0.37
USP2 O75604 1/20 0.36
PDE2A O00408 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APP P05067 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL7957236 0.92 ALDH1A1 (0.37) ALDH1A1ENPP1PDE2AKMT2APOLB
SCHEMBL4820458 0.88 ALDH1A1 (0.35) ALDH1A1MAPK11MAPK14ENPP1PDE2A
SCHEMBL7956802 0.86 ALDH1A1 (0.38) ALDH1A1USP2KMT2APOLBTSHR
SCHEMBL7956946 0.86 ALDH1A1 (0.37) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7956372 0.84 LMNA (0.40) ALDH1A1ENPP1PDE2AKMT2APOLB
SCHEMBL4821535 0.83 ALDH1A1 (0.36) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7958677 0.81 ALDH1A1 (0.37) ALDH1A1ENPP1PDE2AKMT2APOLB
SCHEMBL4819686 0.81 ALDH1A1 (0.37) ALDH1A1ENPP1PDE2AKMT2APOLB
SCHEMBL7958613 0.81 ALDH1A1 (0.39) ALDH1A1ENPP1PDE2AKMT2APOLB
SCHEMBL7947814 0.81 ALDH1A1 (0.36) ALDH1A1ENPP1PDE2AKMT2APOLB

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-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US claimed
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed