SCHEMBL22852772

SCHEMBL22852772

CCOC(=O)c1ccc(C(F)(F)F)cc1Nc1c(C)cc(F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ METTL3 Q86U44 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CFTR P13569 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41

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
SCHEMBL30294611 1.00 KDM4E (0.44) KDM4ELMNAMRGPRX4CYP1A2CYP2C9
SCHEMBL29382578 0.87 KDM4E (0.46) KDM4ELMNAMRGPRX4CYP1A2CYP2C9
SCHEMBL22833395 0.87 KDM4E (0.46) KDM4ELMNAMRGPRX4CYP1A2CYP2C9
SCHEMBL22853132 0.84 TAS2R14 (0.59) KDM4ECYP2C19TAS2R14
SCHEMBL30294773 0.84 TAS2R14 (0.59) KDM4ECYP2C19TAS2R14
SCHEMBL22852778 0.82 MAP2K2 (0.48) KDM4ELMNAMRGPRX4CYP1A2CYP2C9
SCHEMBL30294768 0.82 MAP2K2 (0.48) KDM4ELMNAMRGPRX4CYP1A2CYP2C9
SCHEMBL30294404 0.81 MRGPRX4 (0.48) KDM4ELMNAMRGPRX4MAPTPOLB
SCHEMBL22852785 0.81 MRGPRX4 (0.48) KDM4ELMNAMRGPRX4MAPTPOLB
SCHEMBL26931183 0.81 KDM4E (0.44) KDM4ELMNAMRGPRX4CYP1A2CYP2C9

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-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — WO disclosed
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