SCHEMBL22853085

SCHEMBL22853085

Cc1cc(OC(F)(F)F)ccc1Nc1cc(F)c(Cl)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
P2RX7 Q99572 4/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.44
DHODH Q02127 4/20 0.43
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
KDR P35968 2/20 0.40
BRAF P15056 1/20 0.40
SCN9A Q15858 1/20 0.40
FTO Q9C0B1 1/20 0.39

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
SCHEMBL30294438 1.00 AKR1C2 (0.46) AKR1C2AKR1C1P2RX7IGF2BP2DHODH
SCHEMBL22853041 0.91 P2RX7 (0.47) AKR1C2AKR1C1P2RX7DHODHFFAR4
SCHEMBL30294697 0.91 P2RX7 (0.47) AKR1C2AKR1C1P2RX7DHODHFFAR4
SCHEMBL22853082 0.82 CLCN2 (0.53) DHODHFTO
SCHEMBL30294669 0.82 CLCN2 (0.53) DHODHFTO
SCHEMBL22853116 0.81 FFAR4 (0.45) AKR1C2AKR1C1P2RX7IGF2BP2DHODH
SCHEMBL30294459 0.81 FFAR4 (0.45) AKR1C2AKR1C1P2RX7IGF2BP2DHODH
SCHEMBL22853208 0.81 KDR (0.42) P2RX7DHODHKDRBRAF
SCHEMBL30294559 0.81 KDR (0.42) P2RX7DHODHKDRBRAF
SCHEMBL22853488 0.81 IGF2BP2 (0.50) P2RX7IGF2BP2DHODHKCNK2KCNK10

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