SCHEMBL29202622

SCHEMBL29202622

Cn1c2ccccc2c2cc3ccc(Br)cc3nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.46
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GPR3 P46089 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTGER4 P35408 1/20 0.38

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 0.83 KDM4E (0.59) ACHELMNAL3MBTL1GPR3KDM4E
SCHEMBL29202644 0.82 KDM4E (0.52) LMNAL3MBTL1KDM4ERXFP1MEN1
SCHEMBL29202682 0.75 MEN1 (0.56) LMNAL3MBTL1GPR3KDM4ERXFP1
SCHEMBL30888893 0.75 MEN1 (0.56) LMNAL3MBTL1GPR3KDM4ERXFP1
SCHEMBL1923381 0.72 GPR3 (0.64) ACHELMNAL3MBTL1GPR3KDM4E
SCHEMBL8011931 0.72 GPR3 (0.64) ACHELMNAL3MBTL1GPR3KDM4E
SCHEMBL29202709 0.71 ALDH1A1 (0.57) ACHELMNAL3MBTL1KDM4EMEN1
SCHEMBL8832401 0.70 MEN1 (0.57) LMNAL3MBTL1KDM4EMEN1KMT2A
SCHEMBL13562245 0.70 ALKBH5 (0.51) ACHELMNAL3MBTL1GPR3KDM4E
SCHEMBL17033924 0.70 KDM4E (0.43) LMNAKDM4EMEN1KMT2AMAPT

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 2 patents. 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
CN-117946104-A Preparation method of iodine-mediated indolo [2,3-b ] quinoline compound in water phase 山东第二医科大学 2024-04-30 — — CN disclosed
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