SCHEMBL30615490

SCHEMBL30615490

Cc1ncccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CASP7 P55210 1/20 0.54
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ASPH Q12797 1/20 0.48
KDM8 Q8N371 1/20 0.48
PAX8 Q06710 1/20 0.48

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
SCHEMBL21467314 1.00 L3MBTL1 (0.54) L3MBTL1MAPK1TDP1ALDH1A1CASP7
SCHEMBL31495149 0.83 MAPT (0.50) L3MBTL1MAPK1TDP1ALDH1A1MEN1
SCHEMBL29463918 0.83 MEN1 (0.56) L3MBTL1MAPK1TDP1ALDH1A1CASP7
SCHEMBL19463676 0.83 MEN1 (0.56) L3MBTL1MAPK1TDP1ALDH1A1CASP7
SCHEMBL4947166 0.82 KMT2A (0.61) L3MBTL1MAPK1TDP1ALDH1A1CASP7
SCHEMBL30731266 0.81 ALDH1A1 (0.54) L3MBTL1MAPK1TDP1ALDH1A1CASP7
SCHEMBL21464058 0.81 MAPT (0.47) L3MBTL1MAPK1TDP1ALDH1A1CASP7
SCHEMBL30615393 0.81 MAPT (0.47) L3MBTL1MAPK1TDP1ALDH1A1CASP7
SCHEMBL397773 0.81 MAPK1 (0.77) L3MBTL1MAPK1TDP1ALDH1A1CASP7
SCHEMBL19549667 0.81 MAPK1 (0.50) L3MBTL1MAPK1TDP1ALDH1A1CASP7

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-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed