SCHEMBL7956372

SCHEMBL7956372

CSc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.36
PDE2A O00408 2/20 0.36
ENPP1 P22413 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
PTGES O14684 1/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
APP P05067 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL7958677 0.87 ALDH1A1 (0.37) ALDH1A1KMT2APDE2AENPP1POLB
SCHEMBL7958613 0.87 ALDH1A1 (0.39) ALDH1A1KMT2APDE2AENPP1POLB
SCHEMBL4819686 0.87 ALDH1A1 (0.37) ALDH1A1KMT2APDE2AENPP1POLB
SCHEMBL7956834 0.85 ALDH1A1 (0.38) ALDH1A1KMT2APDE2AENPP1POLB
SCHEMBL7956946 0.85 ALDH1A1 (0.37) LMNAALDH1A1KMT2APDE2AENPP1
SCHEMBL7957236 0.85 ALDH1A1 (0.37) LMNAALDH1A1KMT2APDE2AENPP1
SCHEMBL7954904 0.84 ALDH1A1 (0.39) ALDH1A1KMT2APDE2AENPP1POLB
SCHEMBL7955197 0.84 ALDH1A1 (0.37) ALDH1A1KMT2APDE2AENPP1POLB
SCHEMBL4821535 0.84 ALDH1A1 (0.36) ALDH1A1KMT2APDE2AENPP1POLB
SCHEMBL7957101 0.83 ALDH1A1 (0.36) ALDH1A1KMT2APDE2AENPP1POLB

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