SCHEMBL7958677

SCHEMBL7958677

CC(C)(C)Sc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
PDE2A O00408 2/20 0.35
KMT2A Q03164 3/20 0.34
ENPP1 P22413 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MBOAT4 Q96T53 1/20 0.33
PTGES O14684 1/20 0.33
APP P05067 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7956372 0.87 LMNA (0.40) ALDH1A1PDE2AKMT2AENPP1POLB
SCHEMBL7958613 0.84 ALDH1A1 (0.39) ALDH1A1PDE2AKMT2AENPP1POLB
SCHEMBL4819686 0.84 ALDH1A1 (0.37) ALDH1A1PDE2AKMT2AENPP1POLB
SCHEMBL7956955 0.82 ALDH1A1 (0.36) ALDH1A1PDE2AKMT2APOLBTSHR
SCHEMBL7956834 0.82 ALDH1A1 (0.38) ALDH1A1PDE2AKMT2AENPP1POLB
SCHEMBL4817458 0.82 MBOAT4 (0.36) ALDH1A1PDE2AKMT2AENPP1POLB
SCHEMBL7957236 0.82 ALDH1A1 (0.37) ALDH1A1PDE2AKMT2AENPP1POLB
SCHEMBL7956946 0.82 ALDH1A1 (0.37) ALDH1A1PDE2AKMT2AENPP1POLB
SCHEMBL7954904 0.81 ALDH1A1 (0.39) ALDH1A1PDE2AKMT2AENPP1POLB
SCHEMBL7955197 0.81 ALDH1A1 (0.37) ALDH1A1PDE2AKMT2AENPP1POLB

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