SCHEMBL28394365

SCHEMBL28394365

COC(=O)c1ccc(-c2ccccc2/N=N/c2ccccc2C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.47
▸ SLC6A4 P31645 3/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ MAPT P10636 9/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ SLK Q9H2G2 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL28389531 0.88 MAPT (0.45) SLC6A3SLC6A4SLC6A2MAPTTHRB
SCHEMBL17732277 0.85 EGFR (0.49) SLC6A3SLC6A4MAPTTSHRSMN1; SMN2
SCHEMBL20741593 0.82 TDP1 (0.54) MAPTTHRBNPSR1MEN1KMT2A
SCHEMBL2884545 0.76 KDM4E (0.52) SLC6A3SLC6A4SLC6A2MAPTTSHR
SCHEMBL17707316 0.75 EGFR (0.45) MAPTTHRBTSHRSMN1; SMN2RAB9A
SCHEMBL14084580 0.75 EGFR (0.56) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL12117537 0.72 ALDH1A1 (0.54) SLC6A3SLC6A4SLC6A2MAPTMEN1
SCHEMBL17707317 0.71 RAB9A (0.69) MAPTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL16680539 0.71 MKNK1 (0.52) SLC6A3SLC6A4SLC6A2MAPTKDR
SCHEMBL7128878 0.71 ALOX5AP (0.53) SLC6A3SLC6A4SLC6A2

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-107250102-B Method for producing benzidine from azobenzene by ruthenium catalysis 拜耳作物科学股份公司 2020-04-24 — — CN disclosed
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