SCHEMBL29922342

SCHEMBL29922342

Cn1cnc(=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 6/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 5/20 0.43
GFER P55789 1/20 0.43
FGFR1 P11362 1/20 0.43
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
DAO P14920 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
SCHEMBL1489409 0.80 L3MBTL1 (0.66) L3MBTL1MAPTALDH1A1GFERFGFR1
SCHEMBL211698 0.76 L3MBTL1 (0.61) L3MBTL1MAPTALDH1A1GFERFGFR1
SCHEMBL2031700 0.76 MAPT (0.47) L3MBTL1MAPTCYP1A2ALDH1A1CYP3A4
SCHEMBL1631009 0.75 MAPT (0.45) L3MBTL1MAPTCYP1A2ALDH1A1HTT
SCHEMBL31520666 0.75 MAPT (0.45) L3MBTL1MAPTCYP1A2ALDH1A1HTT
SCHEMBL29921905 0.75 MAPT (0.49) L3MBTL1MAPTCYP1A2ALDH1A1POLB
SCHEMBL29922141 0.74 DDB1 (0.39) L3MBTL1MAPTALDH1A1GFERGAA
SCHEMBL29245836 0.74 CYP1A2 (0.51) L3MBTL1MAPTCYP1A2ALDH1A1MAPK1
SCHEMBL7708920 0.73 MAPT (0.67) L3MBTL1MAPTCYP1A2ALDH1A1HTT
SCHEMBL19185810 0.73 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1FGFR1MAPK1

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-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed