SCHEMBL20373280

SCHEMBL20373280

COc1cc2c(ccc(=O)n2Cc2ccccn2)cc1/C(=C/O)C(C)=N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ PLA2G2A P14555 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ ERBB4 Q15303 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NOX4 Q9NPH5 2/20 0.34
▸ SYK P43405 1/20 0.34

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
SCHEMBL20373780 0.83 ALDH1A1 (0.37) POLBKDM4EALDH1A1PLA2G2ARAB9A
SCHEMBL20373762 0.80 KDM4E (0.37) KDM4EALDH1A1PLA2G2ARAB9AHPGD
SCHEMBL16896825 0.78 HTR2A (0.44) KDM4EALDH1A1PLA2G2AGRIN1GRIN2B
SCHEMBL16896907 0.78 PLA2G2A (0.41) KDM4EALDH1A1PLA2G2AGRIN1GRIN2B
SCHEMBL20373288 0.78 S1PR3 (0.37) KDM4EALDH1A1PLA2G2AHPGDGRIN1
SCHEMBL20373445 0.78 TLR7 (0.33) KDM4EALDH1A1PLA2G2AGRIN1GRIN2B
SCHEMBL20373449 0.77 SYK (0.38) PLA2G2AGRIN1GRIN2BPDE1APDE1B
SCHEMBL20373279 0.76 PDE1A (0.40) KDM4EALDH1A1PLA2G2ARAB9ANPC1
SCHEMBL20373764 0.76 PLA2G2A (0.38) KDM4EALDH1A1PLA2G2AGRIN1GRIN2B
SCHEMBL20373452 0.76 KCNA5 (0.40) PLA2G2APDE1APDE1BPDE1CKMT2A

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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