SCHEMBL30615696

SCHEMBL30615696

Cc1cc(F)ccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
ALDH1A1 P00352 6/20 0.64
MAPK1 P28482 3/20 0.64
EPAS1 Q99814 1/20 0.53
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CASP7 P55210 1/20 0.51
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 4/20 0.49
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44

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
SCHEMBL4945081 1.00 MAPT (0.64) MAPTALDH1A1MAPK1EPAS1TDP1
SCHEMBL23682559 0.85 TDP1 (0.54) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL30615510 0.85 EPAS1 (0.56) MAPTALDH1A1MAPK1EPAS1TDP1
SCHEMBL4940492 0.85 EPAS1 (0.56) MAPTALDH1A1MAPK1EPAS1TDP1
SCHEMBL4055339 0.82 MAPK1 (0.62) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL6565464 0.82 ALDH1A1 (0.51) MAPTALDH1A1MAPK1EPAS1TDP1
SCHEMBL11518667 0.82 ALDH1A1 (0.53) MAPTALDH1A1MAPK1EPAS1TDP1
SCHEMBL4939342 0.82 EPAS1 (0.60) MAPTALDH1A1MAPK1EPAS1TDP1
SCHEMBL4064354 0.82 EPAS1 (0.59) MAPTALDH1A1MAPK1EPAS1TDP1
SCHEMBL4943394 0.82 MAPT (0.60) MAPTALDH1A1MAPK1EPAS1TDP1

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