SCHEMBL9689388

SCHEMBL9689388

Cn1c(NC2=CC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC2)c(C#N)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
HSD17B10 Q99714 4/20 0.44
TSHR P16473 2/20 0.44
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 2/20 0.37
GLA P06280 2/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL9384694 0.99 EGFR (0.43) ALDH1A1HSD17B10TSHREGFRSRC
SCHEMBL9382020 0.96 EGFR (0.43) ALDH1A1HSD17B10TSHREGFRSRC
SCHEMBL9383692 0.92 EGFR (0.45) ALDH1A1HSD17B10TSHREGFRSRC
SCHEMBL9381112 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHREGFRSRC
SCHEMBL9380917 0.80 EGFR (0.40) ALDH1A1HSD17B10TSHREGFRSRC
SCHEMBL9382965 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHREGFRSRC
SCHEMBL9381382 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHREGFRSRC
SCHEMBL9386041 0.68 DAO (0.40) ALDH1A1MEN1KMT2A
SCHEMBL9686866 0.67 POLB (0.39) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL21333807 0.64 ALDH1A1 (0.47) ALDH1A1HSD17B10LMNAKDM4EHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079246-A Antidepressants, anxiolytic agents BEACHAM GROUP P. L. C. (GB) 1992-01-07 US disclosed