SCHEMBL29202691

SCHEMBL29202691

Cc1cccc2c3cc4ccccc4nc3n(C)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ HCRTR1 O43613 1/20 0.66
▸ KDM4E B2RXH2 4/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ ALKBH5 Q6P6C2 1/20 0.50
▸ FTO Q9C0B1 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE2A O00408 2/20 0.40
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NR1I2 O75469 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ GLA P06280 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39

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) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL18502795 0.73 KDM4E (0.45) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL29282173 0.73 MEN1 (0.68) KMT2AMEN1RAB9AHCRTR1KDM4E
SCHEMBL14931058 0.72 ALKBH5 (0.72) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL291182 0.71 ALDH1A1 (0.60) KMT2ANPC1RAB9AKDM4EPDE2A
SCHEMBL29376451 0.71 ALDH1A1 (0.60) KMT2ANPC1RAB9AKDM4EPDE2A
SCHEMBL29202682 0.70 MEN1 (0.56) KMT2AMEN1HCRTR1KDM4ERXFP1
SCHEMBL30888893 0.70 MEN1 (0.56) KMT2AMEN1HCRTR1KDM4ERXFP1
SCHEMBL29282175 0.70 ALKBH5 (0.50) KMT2AMEN1NPC1RAB9AHCRTR1
Hydrochloric Acid SCHEMBL28881738 0.70 ALDH1A1 (0.58) KMT2ANPC1RAB9AKDM4EPDE2A

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-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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