SCHEMBL20373357

SCHEMBL20373357

CC(=N)/C(=C(/C)O)c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 1/20 0.43
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL20373360 0.93 MET (0.40) POLBKDM4EALDH1A1MCHR1
SCHEMBL20373449 0.86 SYK (0.38) NOX4
SCHEMBL20373588 0.85 BRD4 (0.37) NOX4GRM4BRD4
SCHEMBL20373284 0.84 KDM4E (0.36) NOX4CNR2KDM4EALDH1A1MCHR1
SCHEMBL20373445 0.81 TLR7 (0.33) NOX4KDM4EALDH1A1BRD4
SCHEMBL20373452 0.81 KCNA5 (0.40) NOX4CNR2
SCHEMBL20373361 0.81 AVPR2 (0.34) NOX4POLBKDM4EALDH1A1MCHR1
SCHEMBL20373438 0.80 LMNA (0.41) CNR1CNR2KDM4EALDH1A1MAOB
SCHEMBL20373754 0.80 TLR7 (0.37) NOX4KDM4EBRD4
SCHEMBL20373288 0.78 S1PR3 (0.37) NOX4KDM4EALDH1A1MCHR1TSHR

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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