SCHEMBL20373438

SCHEMBL20373438

COc1cc2c(ccc(=O)n2CCN2CCOCC2)cc1/C(C(C)=N)=C(\C)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ APP P05067 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SCN7A Q01118 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN8A Q9UQD0 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
SCHEMBL20373742 0.80 MAPK1 (0.43) LMNAALDH1A1KDM4EMAPK1BRD4
SCHEMBL18326368 0.80 HTT (0.48) LMNAKDM4EMAPK1BRD4CREBBP
SCHEMBL20373357 0.80 NOX4 (0.43) MAOBALDH1A1KDM4EBRD4CNR2
SCHEMBL20373789 0.74 PDE10A (0.41) KMT2A
SCHEMBL20373766 0.72 GPR84 (0.36) —
SCHEMBL16905795 0.72 CREBBP (0.51) BRD4CREBBP
SCHEMBL20373746 0.69 AKR1C3 (0.43) LMNAKDM4EKMT2A
SCHEMBL20373739 0.68 SCN7A (0.41) ALDH1A1KDM4ESCN7ASCN5ASCN2A
SCHEMBL20373756 0.67 BRD4 (0.36) MAOBALDH1A1KDM4EBRD4CREBBP
SCHEMBL28901289 0.65 SCN7A (0.48) LMNAALDH1A1BRD4CREBBPCNR1

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-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
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