SCHEMBL25685423

SCHEMBL25685423

CCn1ccn(-c2ccc(C)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ELANE P08246 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ CTSG P08311 1/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ CTRC Q99895 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RGS4 P49798 2/20 0.40
▸ RGS8 P57771 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ COMT P21964 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL25160404 0.86 ALDH1A1 (0.43) MAPTTP53ELANEF2CTSG
SCHEMBL14889068 0.84 MAPT (0.39) MAPTTP53GAAMGLLSMN1; SMN2
SCHEMBL20644611 0.83 MAPT (0.39) MAPTTP53ELANEF2CTSG
SCHEMBL17664675 0.75 RGS4 (0.47) ELANEF2CTSGCMA1CTRC
SCHEMBL4623309 0.72 MAPT (0.39) MAPTTP53ELANEF2CTSG
SCHEMBL17660251 0.70 ELANE (0.41) ELANEF2CTSGCMA1CTRC
SCHEMBL25160112 0.68 RGS4 (0.34) MAPTELANEF2CTSGCMA1
SCHEMBL29819619 0.68 GSK3A (0.44) MAPTELANEF2CTSGCMA1
SCHEMBL25160199 0.68 PPARD (0.48) MAPTELANEF2CTSGCMA1
SCHEMBL17660383 0.66 BTK (0.34) MAPTTP53ELANEF2CTSG

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-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 — — WO disclosed
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