SCHEMBL27337442

SCHEMBL27337442

OCCc1ccc2c(Br)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
CA2 P00918 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7221961 0.85 SLC9A1 (0.44) SLC9A1BACE1CA2MEN1KMT2A
SCHEMBL31459979 0.85 SLC9A1 (0.44) SLC9A1BACE1CA2MEN1KMT2A
Alcohol SCHEMBL9715110 0.81 SLC9A1 (0.41) SLC9A1BACE1CA2MEN1KMT2A
SCHEMBL31191878 0.80 KDM4E (0.42) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL4703026 0.79 SLC9A1 (0.41) SLC9A1KDM4EALDH1A1GAABACE1
SCHEMBL2311214 0.78 KDM4E (0.52) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2310621 0.78 ALDH1A1 (0.50) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL8732557 0.78 SLC9A1 (0.41) SLC9A1KDM4EGAABACE1TDP1
SCHEMBL15352105 0.78 SLC9A1 (0.44) SLC9A1KDM4EGAABACE1TDP1
SCHEMBL2311043 0.77 HTR2A (0.44) KDM4EALDH1A1ALOX5GAAMAPT

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
CN-1046528-A As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound AMERICAN HOME PROD (US) 1990-10-31 CN claimed