SCHEMBL10045160

SCHEMBL10045160

CC1CCC2=C(O1)c1ccccc1/C(=N\c1ccc(OCCO)cc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR174 Q9BXC1 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ MAOB P27338 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HPGD P15428 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
SCHEMBL883642 0.81 MALT1 (0.53) GPR174GAAALDH1A1MAPTRECQL
SCHEMBL18774148 0.73 MALT1 (0.55) GPR174GAAALDH1A1MAPTRECQL
SCHEMBL5940309 0.70 MEN1 (0.51) GAASTAT3ALDH1A1MAPTRECQL
SCHEMBL18771058 0.69 MALT1 (0.42) GAAALDH1A1MAPTRECQLKDM4E
SCHEMBL12473165 0.65 MALT1 (0.61) GAAALDH1A1MAPTRECQLKDM4E
SCHEMBL12473069 0.62 MALT1 (0.65) ALDH1A1MAPTRECQLKDM4EPOLB
SCHEMBL18774056 0.62 MALT1 (0.65) ALDH1A1MAPTRECQLKDM4EPOLB
SCHEMBL6033559 0.61 MALT1 (0.53) ALDH1A1MAPTRECQLKDM4EHTT
SCHEMBL12473212 0.61 MALT1 (0.68) ALDH1A1MAPTRECQLKDM4EBLM
SCHEMBL12473163 0.60 MALT1 (0.62) ALDH1A1MAPTRECQLKDM4EBLM

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-2012040492-A1 METHODS OF TREATING CANCER COMPRISING TARGETING NQO1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-03-29 — — WO disclosed
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