SCHEMBL10609609

SCHEMBL10609609

COCCOCn1nnc(C(C=O)=Cc2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FYN P06241 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
USP2 O75604 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
SCHEMBL10610752 0.84 MEN1 (0.42) MAPK14ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9799075 0.83 MAPK14 (0.35) MAPK14ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9726603 0.80 HSD17B10 (0.38) MAPK14ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL10612928 0.78 USP2 (0.39) MAPK14ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL9726423 0.75 HSD17B10 (0.36) MAPK14ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9726417 0.75 HSD17B10 (0.36) MAPK14ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9726984 0.74 TRPA1 (0.34) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9726463 0.73 HSD17B10 (0.39) MAPK14ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL10610747 0.73 MAPK14 (0.36) MAPK14ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9799071 0.72 MAPK14 (0.35) MAPK14ALDH1A1HSD17B10KDM4EHPGD

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
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed