SCHEMBL29105915

SCHEMBL29105915

N#Cc1ccc(-c2ccc(C#N)c(N3CCC(OC(N)=O)CC3)n2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 15/20 0.55
▸ CYP11B2 P19099 3/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ MTOR P42345 1/20 0.41
▸ GPR119 Q8TDV5 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
SCHEMBL29147877 0.92 KDM1A (0.52) KDM1ACYP11B2CYP11B1MTOR
SCHEMBL29105947 0.85 KDM1A (0.48) KDM1ACYP11B2
SCHEMBL26695563 0.84 KDM1A (0.49) KDM1ACYP11B2CYP11B1GPR119
SCHEMBL29147910 0.83 KDM1A (0.48) KDM1ACYP11B2CYP11B1GPR119
SCHEMBL29106006 0.83 SMN1; SMN2 (0.54) KDM1A
SCHEMBL29105970 0.83 KDM1A (0.48) KDM1A
SCHEMBL26695734 0.81 KDM1A (0.49) KDM1ACYP11B2CYP11B1GPR119
SCHEMBL29106005 0.81 KDM4E (0.48) KDM1A
SCHEMBL29147912 0.81 KDM1A (0.46) KDM1ACYP11B2
SCHEMBL29106003 0.80 KDM1A (0.42) 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
CN-117062813-A Polycyclic compound and application thereof 四川汇宇制药股份有限公司 2023-11-14 — — CN disclosed
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