SCHEMBL20373361

SCHEMBL20373361

CC(=N)/C(=C(/C)O)c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OCCC1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 2/20 0.34
▸ AVPR1A P37288 2/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ NPY1R P25929 3/20 0.32
▸ SYK P43405 1/20 0.32
▸ HTR4 Q13639 1/20 0.31
▸ REN P00797 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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 0.85 SYK (0.38) TLR7SYKNOX4ALOX5AP
SCHEMBL20373284 0.83 KDM4E (0.36) TLR7SYKKDM4EALDH1A1NOX4
SCHEMBL20373588 0.83 BRD4 (0.37) TLR7NOX4
SCHEMBL20373360 0.83 MET (0.40) POLBKDM4EALDH1A1L3MBTL1MCHR1
SCHEMBL20373357 0.81 NOX4 (0.43) POLBKDM4EALDH1A1NOX4MCHR1
SCHEMBL20373445 0.81 TLR7 (0.33) GABRA1GABRA5TLR7SYKKDM4E
SCHEMBL20373452 0.81 KCNA5 (0.40) GABRA1GABRA5TLR7SYKNOX4
SCHEMBL20373754 0.79 TLR7 (0.37) GABRA1GABRA5TLR7KDM4ENOX4
SCHEMBL16906060 0.78 BRD4 (0.48) —
SCHEMBL20373288 0.77 S1PR3 (0.37) KDM4EALDH1A1KCNH2NOX4MCHR1

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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