SCHEMBL29199758

SCHEMBL29199758

Cc1ccc2c(NC(=O)C(F)(F)F)c(C(=O)OC(C)(C)C)sc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
LIMK1 P53667 1/20 0.41
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LCK P06239 2/20 0.34
USP28 Q96RU2 7/20 0.34
USP25 Q9UHP3 5/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LHCGR P22888 1/20 0.33

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
SCHEMBL29199762 0.84 IKBKB (0.46) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL29199761 0.81 TRPM8 (0.35) MAPTNPC1RAB9ATRPM8ALDH1A1
SCHEMBL29199703 0.77 IKBKB (0.41) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL13367440 0.69 IKBKB (0.41) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL4120166 0.68 KDM4E (0.43) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL13339649 0.67 LCK (0.40) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL13367311 0.67 IKBKB (0.39) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL3493116 0.66 IKBKB (0.39) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL22645006 0.66 LIMK1 (0.52) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL4126822 0.66 IKBKB (0.52) IKBKBLIMK1MAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118121608-A Ubiquitin specific protease inhibitor salt form, ubiquitin specific protease inhibitor crystal form, preparation methods and application of ubiquitin specific protease inhibitor salt form and ubiquitin specific protease inhibitor crystal form 杭州普济远成生物医药科技有限公司 2024-06-04 CN disclosed
CN-117916246-A Ubiquitin specific protease inhibitor salt form, ubiquitin specific protease inhibitor crystal form, preparation methods and application of ubiquitin specific protease inhibitor salt form and ubiquitin specific protease inhibitor crystal form 杭州普济远成生物医药科技有限公司 2024-04-19 CN disclosed