SCHEMBL7956834

SCHEMBL7956834

CCCSc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
PDE2A O00408 5/20 0.35
ENPP1 P22413 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7957250 0.94 ATM (0.43) ALDH1A1PDE2AENPP1POLBTSHR
SCHEMBL7958613 0.91 ALDH1A1 (0.39) ALDH1A1PDE2AENPP1POLBTSHR
SCHEMBL7955197 0.86 ALDH1A1 (0.37) ALDH1A1PDE2AENPP1POLBTSHR
SCHEMBL7956372 0.85 LMNA (0.40) ALDH1A1PDE2AENPP1POLBTSHR
SCHEMBL4817458 0.85 MBOAT4 (0.36) ALDH1A1PDE2AENPP1POLBTSHR
SCHEMBL4818800 0.84 ALDH1A1 (0.35) ALDH1A1PDE2AENPP1POLBTSHR
SCHEMBL7955290 0.84 NPC1 (0.38) ALDH1A1ENPP1POLBTSHRKMT2A
SCHEMBL7947778 0.83 ATM (0.39) ALDH1A1PDE2APOLBTSHRKMT2A
SCHEMBL7957101 0.83 ALDH1A1 (0.36) ALDH1A1PDE2AENPP1POLBTSHR
SCHEMBL7958677 0.82 ALDH1A1 (0.37) ALDH1A1PDE2AENPP1POLBTSHR

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