SCHEMBL15740336

SCHEMBL15740336

COc1ccccc1C=C(C#N)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ LMNA P02545 1/20 1.00
▸ PKM P14618 1/20 1.00
▸ SLC16A3 O15427 7/20 0.66
▸ SLC16A1 P53985 7/20 0.66
▸ ADORA2A P29274 1/20 0.58
▸ ADORA2B P29275 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ CA12 O43570 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TP53 P04637 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51

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
SCHEMBL15740335 1.00 KDM4E (1.00) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL7814195 0.87 KDM4E (0.76) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL7814194 0.87 KDM4E (0.76) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL28436908 0.86 KDM4E (0.76) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL21457552 0.86 ADORA2A (0.77) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL21457548 0.86 ADORA2A (0.77) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL27096569 0.85 KDM4E (0.74) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL9147405 0.84 KDM4E (0.73) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL9789047 0.84 KDM4E (0.78) KDM4EKMT2ALMNAPKMSLC16A3
SCHEMBL9789045 0.84 KDM4E (0.78) KDM4EKMT2ALMNAPKMSLC16A3

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
WO-2014081856-A2 LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM AZZAZY HASSAN (EG) 2014-05-30 — — WO disclosed
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