SCHEMBL29499481

SCHEMBL29499481

NC12CC(c3ncc(-c4ccc(Cl)c(F)c4)o3)(C1)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.34
▸ KMO O15229 2/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL22613886 1.00 EGLN2 (0.34) EGLN2KMOPDE4ATDO2PTGS1
SCHEMBL22613938 0.81 NOTUM (0.45) TDO2
SCHEMBL20722096 0.78 NOTUM (0.37) KMO
SCHEMBL22614599 0.77 KMO (0.33) EGLN2KMOPDE4ATDO2
SCHEMBL29499463 0.77 KMO (0.33) EGLN2KMOPDE4ATDO2
SCHEMBL29408927 0.74 HSD11B1 (0.38) —
SCHEMBL22613838 0.74 HSD11B1 (0.38) —
SCHEMBL19556361 0.68 ATF4 (0.43) —
SCHEMBL22614397 0.65 KMO (0.39) EGLN2KMO
SCHEMBL22614230 0.65 HRH3 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 — — CN disclosed
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