SCHEMBL22853397

SCHEMBL22853397

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
METTL3 Q86U44 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
TP53 P04637 1/20 0.42
USP2 O75604 1/20 0.42
MRGPRX1 Q96LB2 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
SCHEMBL30294784 1.00 MAPT (0.49) MAPTALDH1A1KMT2AMAPK13MAPK12
SCHEMBL30294796 0.91 MAPT (0.50) MAPTALDH1A1KMT2AMAPK13MAPK12
SCHEMBL22853357 0.91 MAPT (0.50) MAPTALDH1A1KMT2AMAPK13MAPK12
SCHEMBL22852811 0.84 CDC25B (0.50) ALDH1A1MAPK14TDP1SMN1; SMN2POLB
SCHEMBL30294267 0.84 CDC25B (0.50) ALDH1A1MAPK14TDP1SMN1; SMN2POLB
SCHEMBL22833395 0.83 KDM4E (0.46) MAPTTDP1SMN1; SMN2POLBLMNA
SCHEMBL29382578 0.83 KDM4E (0.46) MAPTTDP1SMN1; SMN2POLBLMNA
SCHEMBL22852841 0.83 CLCN2 (0.57) MAPTALDH1A1KMT2AMAPK13MAPK12
SCHEMBL30294548 0.83 CLCN2 (0.57) MAPTALDH1A1KMT2AMAPK13MAPK12
SCHEMBL22853336 0.82 SMN1; SMN2 (0.42) ALDH1A1KMT2ATDP1SMN1; SMN2POLB

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