SCHEMBL30174263

SCHEMBL30174263

NC(=O)c1c2n(cc(-c3ccco3)c1=O)CCOC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 1/20 0.36
RAB9A P51151 1/20 0.36
PRKDC P78527 2/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CSNK1E P49674 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 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
SCHEMBL25229526 0.89 ALOX5 (0.42) ALOX5ALDH1A1CYP1A2RAB9APRKDC
SCHEMBL25529243 0.85 ALDH1A1 (0.39) ALOX5ALDH1A1CYP1A2RAB9APRKDC
SCHEMBL30174183 0.79 RIPK1 (0.35) PRKDCSTK4STK3PIK3CAPIK3CB
SCHEMBL30174188 0.78 TSHR (0.45) ALOX5ALDH1A1CYP1A2RAB9APRKDC
SCHEMBL30174220 0.76 CSNK1E (0.38) ALDH1A1PRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL30174235 0.75 ALDH1A1 (0.34) ALOX5ALDH1A1CYP1A2RAB9APRKDC
SCHEMBL30174208 0.75 PTGS2 (0.41) ALDH1A1CYP1A2RAB9APRKDCHSD17B10
SCHEMBL30174179 0.74 HDAC1 (0.33) ALDH1A1CSNK1EKDM4EKMT2AMEN1
SCHEMBL29867907 0.69 KDM4E (0.30) ALDH1A1KDM4EHTT
SCHEMBL25529250 0.68 RIPK1 (0.36) ALDH1A1CYP1A2PRKDCSTK4STK3

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-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed