SCHEMBL29199696

SCHEMBL29199696

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
LIMK1 P53667 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
USP28 Q96RU2 12/20 0.39
USP25 Q9UHP3 7/20 0.39
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL29199703 0.84 IKBKB (0.41) IKBKBLIMK1ALDH1A1MAPTNPSR1
SCHEMBL22645040 0.84 IKBKB (0.52) IKBKBLIMK1ALDH1A1MAPTNPSR1
SCHEMBL22639003 0.80 KDM4E (0.46) IKBKBLIMK1ALDH1A1MAPTNPSR1
SCHEMBL29199762 0.74 IKBKB (0.46) IKBKBLIMK1ALDH1A1MAPTNPSR1
SCHEMBL1697886 0.72 HDAC3 (0.32) ALDH1A1NPC1RAB9AMEN1POLB
SCHEMBL29707312 0.72 LIMK1 (0.77) IKBKBLIMK1ALDH1A1MAPTNPSR1
SCHEMBL3492612 0.72 IKBKB (0.55) IKBKBLIMK1ALDH1A1MAPTNPSR1
SCHEMBL19212039 0.72 LIMK1 (0.77) IKBKBLIMK1ALDH1A1MAPTNPSR1
Trifluoroacetic Acid SCHEMBL3494184 0.68 IKBKB (0.48) IKBKBLIMK1ALDH1A1MAPTNPSR1
SCHEMBL24248126 0.67 RAB9A (0.34) IKBKBLIMK1ALDH1A1MAPTNPSR1

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