SCHEMBL30122630

SCHEMBL30122630

O=[N+]([O-])c1cc(C(F)F)c2cccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ PKM P14618 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ CASP6 P55212 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ IDO1 P14902 3/20 0.42
▸ TDO2 P48775 2/20 0.42
▸ CTSB P07858 2/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL30918539 0.80 MAPT (0.55) MAPTKDM4ETDP1PKMHTT
SCHEMBL30122661 0.77 MEN1 (0.55) MAPTKDM4ETDP1PKMHTT
SCHEMBL4436189 0.77 MEN1 (0.55) MAPTKDM4ETDP1PKMHTT
SCHEMBL28553829 0.77 NQO2 (0.51) MAPTKDM4ETDP1PKMHTT
SCHEMBL27964543 0.77 POLB (0.45) MAPTKDM4ETDP1PKMHTT
SCHEMBL30437811 0.73 MAPT (0.52) MAPTKDM4ETDP1PKMHTT
SCHEMBL27190188 0.73 MAPT (0.72) MAPTKDM4ETDP1PKMHTT
SCHEMBL24363301 0.72 PARP1 (0.49) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL6865287 0.70 MEN1 (0.48) MAPTKDM4ETDP1PKMHTT
SCHEMBL22049618 0.69 MAPT (0.52) MAPTKDM4EHTTSMN1; SMN2POLB

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-2022253152-A1 7-NITRO-8-HYDROXYQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2022-12-08 — — WO disclosed
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