SCHEMBL7688531

SCHEMBL7688531

N#Cc1[c]c2ccocc-2c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.33
ADORA2A P29274 2/20 0.33
CHEK1 O14757 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
SCHEMBL4463886 0.71 ERN1 (0.33)
SCHEMBL4477931 0.71 CSNK2A1 (0.34)
SCHEMBL4478147 0.71 CYP1A2 (0.31) ALDH1A1
SCHEMBL6336378 0.67 ERN1 (0.30) ADORA1ADORA2B
SCHEMBL4473652 0.67 CYP1A1 (0.35)
SCHEMBL27657345 0.67
SCHEMBL4694568 0.66 ADORA2A (0.37) ADORA1ADORA2BADORA2A
SCHEMBL15577115 0.66 ALOX5 (0.34) POLBADORA2BADORA2A
SCHEMBL28312706 0.64 ADORA2A (0.39) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL4158021 0.63 ADORA2A (0.33) ADORA1ADORA2ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355634-B1 OXIME DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US claimed
US-6407100-B1 HORTICULTURE, AGRICULTURE, WOOD PRESERVATION BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed
US-6355634-B1 OXIME DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed