SCHEMBL20373356

SCHEMBL20373356

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)c(C)cc(=O)n2Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.39
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ NOX4 Q9NPH5 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SYK P43405 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ INCENP Q9NQS7 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20373579 0.89 AR (0.37) PLA2G2APDE1APDE1BPDE1CNOX4
SCHEMBL20373279 0.84 PDE1A (0.40) PLA2G2APDE1APDE1BPDE1CNOX4
SCHEMBL18326382 0.80 HTR2A (0.43) PLA2G2ANOX4KDM4EMEN1KMT2A
SCHEMBL20373449 0.76 SYK (0.38) PLA2G2APDE1APDE1BPDE1CNOX4
SCHEMBL20373445 0.75 TLR7 (0.33) PLA2G2APDE1APDE1BPDE1CNOX4
SCHEMBL20373452 0.75 KCNA5 (0.40) PLA2G2APDE1APDE1BPDE1CNOX4
SCHEMBL20373585 0.75 POLB (0.38) PDE1APDE1BPDE1CKDM4EMEN1
SCHEMBL20373754 0.74 TLR7 (0.37) NOX4KDM4EPTGDR2SMN1; SMN2GRIN1
SCHEMBL20373284 0.74 KDM4E (0.36) PLA2G2APDE1APDE1BPDE1CNOX4
SCHEMBL18359530 0.74 PDE1A (0.37) PLA2G2APDE1APDE1BPDE1CKDM4E

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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