SCHEMBL31744279

SCHEMBL31744279

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C#Cc3cc(NC(=O)NCCc4cccnc4)ccc3-c3ccncc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.44
▸ NFE2L2 Q16236 4/20 0.44
▸ USP30 Q70CQ3 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ NAMPT P43490 6/20 0.39
▸ HIF1A Q16665 2/20 0.38
▸ EPAS1 Q99814 2/20 0.38

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
SCHEMBL31037260 0.91 NAMPT (0.43) KEAP1NFE2L2ROCK2NAMPT
SCHEMBL31037288 0.89 MAPK14 (0.42) KEAP1NFE2L2NAMPTHIF1AEPAS1
SCHEMBL31037313 0.86 NPY5R (0.40) ROCK2SLC6A5NAMPTHIF1AEPAS1
SCHEMBL31037243 0.85 ROCK2 (0.43) ROCK2ROCK1NAMPTHIF1AEPAS1
SCHEMBL31037340 0.84 NAMPT (0.39) KEAP1NFE2L2NAMPTHIF1AEPAS1
SCHEMBL31037245 0.84 NAMPT (0.39) NAMPTHIF1AEPAS1
SCHEMBL31037296 0.82 ALK (0.41) KEAP1NFE2L2GPR119NAMPT
SCHEMBL31744293 0.82 NAMPT (0.46) ROCK2ROCK1NAMPTHIF1AEPAS1
SCHEMBL31037480 0.80 ROCK2 (0.43) ROCK2ROCK1NAMPT
SCHEMBL31037281 0.79 ROCK2 (0.48) ROCK2ROCK1NAMPT

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
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
Send feedback