SCHEMBL7947778

SCHEMBL7947778

CCCSc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.33
PDE2A O00408 8/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
ABCB1 P08183 1/20 0.32
MBOAT4 Q96T53 1/20 0.31

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
SCHEMBL7957007 0.93 ATM (0.48) ATMGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL7956836 0.91 ALDH1A1 (0.44) ATMGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL7947703 0.85 ALDH1A1 (0.36) ATMGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL7962066 0.84 LMNA (0.42) GAAALDH1A1KMT2APOLBTSHR
SCHEMBL7954925 0.84 MBOAT4 (0.35) ATMGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7956834 0.83 ALDH1A1 (0.38) ATMGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL7947542 0.83 KMT2A (0.34) GAAALDH1A1KMT2APOLBTSHR
SCHEMBL7956367 0.82 ALDH1A1 (0.38) ATMGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL7956955 0.81 ALDH1A1 (0.36) GAAALDH1A1KMT2APOLBTSHR
SCHEMBL7958699 0.81 ALDH1A1 (0.36) GAAALDH1A1KMT2APOLBTSHR

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