SCHEMBL10692731

SCHEMBL10692731

N#Cc1c(Br)sc2c(CBr)cccc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10692384 0.77 CYP1A2 (0.38) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL4018271 0.74 CYP1A2 (0.33)
SCHEMBL2809185 0.72 CYP1A2 (0.39) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL584957 0.70 CYP1A1 (0.39) ALDH1A1GAAMAPT
SCHEMBL10692169 0.69 CYP2A6 (0.36) ALDH1A1MAPTKMT2A
SCHEMBL1514430 0.68 GPR3 (0.44) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL5699703 0.68 ALDH1A1 (0.40) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL3058488 0.67 GPR3 (0.48) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL25924016 0.67 GRM6 (0.39) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL1125092 0.66 SMN1; SMN2 (0.37) KDM4EALDH1A1MAPT

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-4737516-A FUNGICIDES SANDOZ LTD. (CH) 1988-04-12 US disclosed