SCHEMBL29282175

SCHEMBL29282175

Cc1cccc2cc3c4ccccc4n(C)c3nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 1/20 0.50
▸ FTO Q9C0B1 1/20 0.50
▸ KDM4E B2RXH2 8/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ CASP1 P29466 5/20 0.46
▸ CASP7 P55210 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ GLA P06280 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ NQO2 P16083 1/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ATM Q13315 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GPR3 P46089 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ PABPC1 P11940 1/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL9394688 0.78 KDM4E (0.59) KDM4EHSD17B10CASP1CASP7MAPT
SCHEMBL30888893 0.73 MEN1 (0.56) ALKBH5FTOKDM4EHSD17B10CASP1
SCHEMBL29202682 0.73 MEN1 (0.56) ALKBH5FTOKDM4EHSD17B10CASP1
SCHEMBL17109976 0.70 GPR3 (0.54) ALKBH5FTOKDM4EHSD17B10MAPT
SCHEMBL29202691 0.70 KMT2A (0.66) ALKBH5FTOKDM4EMAPTL3MBTL1
SCHEMBL20313287 0.70 MEN1 (0.40) ALKBH5FTOKDM4EHSD17B10MAPT
SCHEMBL29202622 0.69 ACHE (0.46) KDM4ECASP1CASP7MAPTHTT
SCHEMBL9690653 0.69 KDM4E (0.50) KDM4EHSD17B10L3MBTL1ALDH1A1MEN1
SCHEMBL16625722 0.68 GPR3 (0.50) ALKBH5FTOKDM4EL3MBTL1NQO2
SCHEMBL23922341 0.68 TP53 (0.35) ALKBH5FTOKDM4EHSD17B10MAPT

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-117987851-A Method for preparing indolo [2,3-b ] quinoline compounds by electrochemical iodine catalysis 山东第二医科大学 2024-05-07 — — CN disclosed
Send feedback