SCHEMBL29199762

SCHEMBL29199762

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
LIMK1 P53667 1/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP28 Q96RU2 7/20 0.41
USP25 Q9UHP3 6/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 2/20 0.37
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29199758 0.84 IKBKB (0.41) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL29199696 0.74 IKBKB (0.46) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL29707312 0.72 LIMK1 (0.77) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL19212039 0.72 LIMK1 (0.77) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL3492612 0.72 IKBKB (0.55) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL22645040 0.70 IKBKB (0.52) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL22645006 0.70 LIMK1 (0.52) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL24595746 0.69 IKBKB (0.67) IKBKBLIMK1MAPTNPC1RAB9A
Trifluoroacetic Acid SCHEMBL3494184 0.68 IKBKB (0.48) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL3723045 0.68 GPR35 (0.39) TRPM8LMNAKDM4E

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