SCHEMBL19930836

SCHEMBL19930836

CCNc1cc(-c2ccc(OCC[S]=O)c(N)c2)cn(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.53
▸ AURKA O14965 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL19930749 0.74 BRD4 (0.58) BRD4TTK
SCHEMBL19930835 0.73 BRD4 (0.71) BRD4
SCHEMBL16651168 0.70 BRD4 (1.00) BRD4MAPTKMT2A
SCHEMBL21915803 0.69 BRD4 (0.68) BRD4
SCHEMBL19930732 0.66 BRD4 (0.70) BRD4AURKATTKAURKBINCENP
SCHEMBL19930645 0.66 BRD4 (0.52) BRD4AURKATTKAURKBINCENP
SCHEMBL16650500 0.62 BRD4 (1.00) BRD4AURKATTKAURKBINCENP
SCHEMBL18508160 0.62 BRD4 (0.50) BRD4
SCHEMBL21998643 0.62 BRD4 (0.68) BRD4AURKATTKAURKBINCENP
SCHEMBL8522276 0.60 LMNA (0.51) KDM4EMEN1ALDH1A1POLBGAA

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-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 — — EP disclosed
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