SCHEMBL12801460

SCHEMBL12801460

CBCc1ccc(OC)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
MCL1 Q07820 1/20 0.48
CYP3A4 P08684 3/20 0.46
APLNR P35414 1/20 0.42
IDO1 P14902 2/20 0.41
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
BACE1 P56817 1/20 0.41
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 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
SCHEMBL4852727 0.82 ALDH1A1 (0.55) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL295346 0.80 ALDH1A1 (0.53) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL12516104 0.79 APLNR (0.41) APLNRIDO1ADRA1ATAAR1
SCHEMBL11782724 0.78 ALDH1A1 (0.52) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL706675 0.78 ALDH1A1 (0.55) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL5217973 0.77 TAAR1 (0.62) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL3816078 0.77 ALDH1A1 (0.50) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL578049 0.76 ALDH1A1 (0.48) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL3579011 0.76 ALDH1A1 (0.52) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL6160744 0.76 LTA4H (0.50) ALDH1A1MEN1MAPTTHRBKMT2A

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-2011040510-A1 INDAZOLE ANALOGUE 旭化成ファーマ株式会社 (JP) 2011-04-07 WO disclosed