SCHEMBL29620969

SCHEMBL29620969

Nc1ncc(-c2ccc(C(F)(F)F)c(F)c2)o1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.53
CYP11B2 P19099 11/20 0.46
CYP11B1 P15538 8/20 0.46

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
SCHEMBL22925795 1.00 KIF11 (0.53) KIF11CYP11B2CYP11B1
SCHEMBL22925563 0.82 ABCB1 (0.39) CYP11B2CYP11B1
SCHEMBL29620937 0.82 ABCB1 (0.39) CYP11B2CYP11B1
SCHEMBL22925797 0.82 CYP11B2 (0.50) KIF11CYP11B2CYP11B1
SCHEMBL22925568 0.77 KIF11 (0.48) KIF11
SCHEMBL22925714 0.73 RAB9A (0.53)
SCHEMBL15311723 0.72 CYP11B2 (0.51) KIF11CYP11B2CYP11B1
SCHEMBL21116892 0.72 KIF11 (0.76) KIF11CYP11B2CYP11B1
SCHEMBL4524356 0.72 ADORA2A (0.46)
SCHEMBL20242220 0.71 TAAR1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed