SCHEMBL25042393

SCHEMBL25042393

CCc1ccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ DRD2 P14416 8/20 0.43
▸ BTK Q06187 3/20 0.43
▸ DRD3 P35462 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39

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
SCHEMBL31205821 1.00 KDM1A (0.44) KDM1AMAOBDRD2BTKDRD3
SCHEMBL31206020 0.88 RAB9A (0.48) KDM1AMAOBDRD2BTKDRD3
SCHEMBL27983784 0.86 KDM1A (0.45) KDM1AMAOBDRD2BTKDRD3
SCHEMBL25041798 0.85 KDM1A (0.43) KDM1AMAOBDRD2BTKDRD3
SCHEMBL25042395 0.84 KDM1A (0.45) KDM1AMAOBDRD2BTKDRD3
SCHEMBL31206112 0.83 KDM1A (0.47) KDM1AMAOBDRD2BTKDRD3
SCHEMBL25042392 0.81 KDM1A (0.45) KDM1AMAOBDRD2BTKDRD3
SCHEMBL31206117 0.81 KDM1A (0.42) KDM1AMAOBDRD2BTKDRD3
SCHEMBL25041582 0.81 KDM1A (0.42) KDM1AMAOBDRD2BTKDRD3
SCHEMBL31206154 0.80 NPC1 (0.48) KDM1AMAOBDRD2BTKDRD3

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-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
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