SCHEMBL26695650

SCHEMBL26695650

COc1cc(-c2ccc(C#N)c(F)c2)nc(N2CCC(N(C(=O)O)C(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 15/20 0.44
▸ CYP11B1 P15538 3/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42

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
SCHEMBL26695640 0.88 RET (0.41) KDM1ACYP11B1CYP11B2GPR119
SCHEMBL18150315 0.85 KDM1A (0.44) KDM1ACYP11B1CYP11B2GPR119
SCHEMBL26695718 0.83 KDM1A (0.47) KDM1ACYP11B1CYP11B2
SCHEMBL27440459 0.82 CYP11B1 (0.52) KDM1ACYP11B1CYP11B2
SCHEMBL26695734 0.81 KDM1A (0.49) KDM1ACYP11B1CYP11B2GPR119
SCHEMBL27449379 0.81 SUV39H2 (0.49) KDM1ACYP11B1CYP11B2GPR119
SCHEMBL26695781 0.78 KDM1A (0.35) KDM1ACYP11B1CYP11B2GPR119
SCHEMBL1320358 0.77 KDM1A (0.43) KDM1ACYP11B1CYP11B2GPR119
SCHEMBL1317616 0.77 KDM1A (0.43) KDM1ACYP11B1CYP11B2GPR119
SCHEMBL1317305 0.77 KDM1A (0.43) KDM1ACYP11B1CYP11B2GPR119

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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