SCHEMBL30711954

SCHEMBL30711954

[2H]C1CCN(c2cc(OC)c(Br)c(-c3ccc(C#N)c(F)c3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.47
▸ CYP11B2 P19099 4/20 0.47
▸ KDM1A O60341 16/20 0.45
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL30711912 0.93 CYP11B1 (0.52) CYP11B1CYP11B2KDM1A
SCHEMBL26695687 0.87 KDM1A (0.59) KDM1AKCNH2
SCHEMBL27440455 0.86 KDM1A (0.49) CYP11B1CYP11B2KDM1AKCNH2
SCHEMBL26695761 0.82 KDM1A (0.46) CYP11B1CYP11B2KDM1AKCNH2
SCHEMBL26695612 0.80 KDM1A (0.46) KDM1AKCNH2
SCHEMBL29105921 0.80 KDM1A (0.48) KDM1AKCNH2
SCHEMBL29998820 0.80 KDM1A (0.46) KDM1AKCNH2
SCHEMBL30711910 0.77 CYP11B1 (0.46) CYP11B1CYP11B2
SCHEMBL29997937 0.77 SUV39H2 (0.49) KDM1A
SCHEMBL27449381 0.77 SUV39H2 (0.49) KDM1A

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
WO-2023222115-A1 HYDROXYAMIDE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-11-23 — — WO disclosed
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