SCHEMBL29471262

SCHEMBL29471262

Cc1cc2c(N3CCN(C)c4ccc(C#N)cc43)cc(OCC(=O)OC(C)(C)C)cc2n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.35
▸ GABRA1 P14867 3/20 0.34
▸ GABRG2 P18507 3/20 0.34
▸ GABRB3 P28472 3/20 0.34
▸ GABRA5 P31644 3/20 0.34
▸ GABRA3 P34903 3/20 0.34
▸ GABRA2 P47869 3/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ BRPF1 P55201 5/20 0.33
▸ TNFRSF1A P19438 1/20 0.33
▸ DDB1 Q16531 1/20 0.33

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
SCHEMBL26548555 1.00 MAPT (0.37) MAPTRXFP1GABRA1GABRG2GABRB3
SCHEMBL29471157 0.89 RXFP1 (0.38) MAPTRXFP1GABRA1GABRG2GABRB3
SCHEMBL24317223 0.89 RXFP1 (0.38) MAPTRXFP1GABRA1GABRG2GABRB3
SCHEMBL26548588 0.83 BRPF1 (0.39) RXFP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL29471259 0.83 BRPF1 (0.39) RXFP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL24316581 0.81 RET (0.36) —
SCHEMBL29471251 0.81 RET (0.36) —
SCHEMBL31542332 0.80 EGLN2 (0.44) MAPTMEN1NPC1KMT2AGPR119
SCHEMBL29471198 0.80 GSK3B (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26548496 0.80 GSK3B (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 — — EP disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 — — WO disclosed
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