SCHEMBL22853099

SCHEMBL22853099

CCOC(=O)c1c(Nc2ccc(F)cc2C)cccc1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR3C2 P08235 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTT P42858 1/20 0.39
PTGES O14684 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 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
SCHEMBL30294439 1.00 SMN1; SMN2 (0.42) SMN1; SMN2POLBTDP1NR3C2LMNA
SCHEMBL22853030 0.86 LMNA (0.47) SMN1; SMN2POLBTDP1NR3C2LMNA
SCHEMBL30294265 0.86 LMNA (0.47) SMN1; SMN2POLBTDP1NR3C2LMNA
SCHEMBL22852780 0.84 MEN1 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL30294497 0.84 MEN1 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL22853396 0.82 ALDH1A1 (0.47) SMN1; SMN2POLBTDP1LMNAKDM4E
SCHEMBL30294743 0.82 ALDH1A1 (0.47) SMN1; SMN2POLBTDP1LMNAKDM4E
SCHEMBL30294519 0.76 CDC25B (0.47) SMN1; SMN2POLBTDP1KDM4EHTT
SCHEMBL13247557 0.74 CDC25B (0.61) SMN1; SMN2POLBLMNAKDM4ECDC25A
SCHEMBL22853409 0.73 SMN1; SMN2 (0.50) SMN1; SMN2POLBTDP1LMNAKDM4E

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