SCHEMBL20373754

SCHEMBL20373754

CC(=N)/C(=C(/C)O)c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ GRIN1 Q05586 4/20 0.36
▸ GRIN2B Q13224 4/20 0.36
▸ NOX4 Q9NPH5 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL20373449 0.86 SYK (0.38) TLR7GRIN1GRIN2BNOX4NTRK1
SCHEMBL20373758 0.84 P2RX3 (0.35) —
SCHEMBL20373452 0.84 KCNA5 (0.40) TLR7NOX4GABRA5GABRA1
SCHEMBL20373445 0.84 TLR7 (0.33) TLR7KDM4EMAPTFEN1GRIN1
SCHEMBL20373284 0.84 KDM4E (0.36) TLR7KDM4ENOX4NTRK1SMN1; SMN2
SCHEMBL20373360 0.81 MET (0.40) KDM4EMAPTGAAHTT
SCHEMBL20373588 0.80 BRD4 (0.37) TLR7NOX4BRD4
SCHEMBL20373357 0.80 NOX4 (0.43) KDM4ENOX4BRD4
SCHEMBL20373361 0.79 AVPR2 (0.34) TLR7KDM4ENOX4GABRA5GABRA1
SCHEMBL20373279 0.77 PDE1A (0.40) KDM4EMAPTFEN1NOX4GABRA5

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
Send feedback