SCHEMBL22853000

SCHEMBL22853000

CCOC(=O)c1ccc(C(F)(F)F)cc1Nc1ccc(F)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
MPO P05164 1/20 0.38
CFTR P13569 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL30294403 1.00 KDM4E (0.43) KDM4ELMNATAS2R14POLBSMN1; SMN2
SCHEMBL22833395 0.88 KDM4E (0.46) KDM4ELMNATAS2R14POLBSMN1; SMN2
SCHEMBL29382578 0.88 KDM4E (0.46) KDM4ELMNATAS2R14POLBSMN1; SMN2
SCHEMBL30294768 0.88 MAP2K2 (0.48) KDM4ELMNATAS2R14POLBSMN1; SMN2
SCHEMBL22852778 0.88 MAP2K2 (0.48) KDM4ELMNATAS2R14POLBSMN1; SMN2
SCHEMBL22852785 0.86 MRGPRX4 (0.48) KDM4ELMNAPOLBSMN1; SMN2TDP1
SCHEMBL30294404 0.86 MRGPRX4 (0.48) KDM4ELMNAPOLBSMN1; SMN2TDP1
SCHEMBL26931183 0.86 KDM4E (0.44) KDM4ELMNATAS2R14POLBSMN1; SMN2
SCHEMBL22853410 0.85 CDC25B (0.47) KDM4ELMNAPOLBSMN1; SMN2TDP1
SCHEMBL30294309 0.85 CDC25B (0.47) KDM4ELMNAPOLBSMN1; SMN2TDP1

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