SCHEMBL29199703

SCHEMBL29199703

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
LIMK1 P53667 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP28 Q96RU2 11/20 0.33
USP25 Q9UHP3 7/20 0.33
LHCGR P22888 1/20 0.33
GRM5 P41594 1/20 0.31

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
SCHEMBL29199696 0.84 IKBKB (0.46) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL22639025 0.82 TP53 (0.41) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL29199758 0.77 IKBKB (0.41) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL22645040 0.68 IKBKB (0.52) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL4120166 0.66 KDM4E (0.43) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL22639003 0.65 KDM4E (0.46) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL13367440 0.64 IKBKB (0.41) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL24767970 0.63 ALDH1A1 (0.39) ALDH1A1NPSR1GRM5
SCHEMBL4126822 0.63 IKBKB (0.52) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL1697901 0.63 KDM4E (0.41) MAPTALDH1A1NPSR1NPC1RAB9A

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