SCHEMBL30873692

SCHEMBL30873692

O=C(COC1(OC(F)(F)F)CCC1)NC12CC(c3nnc(-c4cncc(F)c4)o3)(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 18/20 0.43
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL20734206 0.80 ATF4 (0.56) ATF4KCNH2
SCHEMBL23358921 0.80 ATF4 (0.56) ATF4KCNH2
SCHEMBL30873613 0.79 ATF4 (0.41) ATF4KCNH2
SCHEMBL30873642 0.76 ATF4 (0.39) ATF4KCNH2
SCHEMBL30873641 0.76 ATF4 (0.39) ATF4KCNH2
SCHEMBL23358982 0.76 ATF4 (0.36) ATF4KCNH2
SCHEMBL30873658 0.76 ATF4 (0.36) ATF4KCNH2
SCHEMBL30873600 0.70 ATF4 (0.63) ATF4KCNH2
Trifluoroacetic Acid SCHEMBL23359012 0.69 CYP11B2 (0.35) —
Trifluoroacetic Acid SCHEMBL29435983 0.69 CYP11B2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239937-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 — — CN disclosed
CN-118239938-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 — — CN disclosed
CN-111094233-B Compounds, compositions, and methods 戴纳立制药公司 2024-03-15 — — CN disclosed
Send feedback