SCHEMBL24863522

SCHEMBL24863522

CNNCc1ccc(Cn2cc(F)ccc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ BRD2 P25440 1/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ BRDT Q58F21 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KLKB1 P03952 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19513362 0.80 MAPT (0.53) MAPTKMT2APTGDR2THRBHTT
SCHEMBL17784762 0.78 MAPT (0.45) MAPTBRD4BRD2BRD3BRDT
SCHEMBL17784859 0.76 MAPT (0.47) MAPTBRD4BRD2BRD3BRDT
SCHEMBL22491805 0.76 MAPT (0.44) MAPTBRD4BRD2BRD3BRDT
SCHEMBL19939512 0.76 BRD4 (0.53) MAPTBRD4BRD2BRD3BRDT
SCHEMBL19501371 0.76 MAPT (0.50) MAPTKMT2APTGDR2THRBHTT
SCHEMBL19513477 0.76 MAPT (0.41) MAPTBRD4BRD2BRD3BRDT
SCHEMBL13906422 0.75 LMNA (0.54) KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL28894823 0.73 MAPT (0.43) MAPTBRD4BRD2BRD3BRDT
SCHEMBL8276897 0.73 MEN1 (0.50) MAPTKMT2APTGDR2THRBHTT

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
EP-4116299-A1 HETEROCYCLIC COMPOUND Medshine Discovery Inc. (CN) 2023-01-11 — — EP disclosed
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