SCHEMBL31037274

SCHEMBL31037274

NC1CCN(C(=O)c2cccc(-c3ccc(NC(=O)NCCc4cccnc4)cc3C#Cc3ccc(C(=O)NCCN4CCCCC4)cc3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.41
▸ KDM1A O60341 2/20 0.41
▸ CHRNA7 P36544 1/20 0.39
▸ HIF1A Q16665 3/20 0.38
▸ EPAS1 Q99814 3/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL31037506 0.92 KDM1A (0.36) NAMPTKDM1ACHRNA7HIF1AEPAS1
SCHEMBL31037270 0.89 NAMPT (0.36) NAMPTCHRNA7HIF1AEPAS1ABL1
SCHEMBL31037481 0.86 NAMPT (0.53) NAMPTCHRNA7HIF1AEPAS1ABL1
SCHEMBL31037343 0.86 NAMPT (0.53) NAMPTCHRNA7HIF1AEPAS1ABL1
SCHEMBL31037264 0.85 NAMPT (0.43) NAMPTKDM1ACHRNA7HIF1AEPAS1
SCHEMBL31037295 0.85 NAMPT (0.42) NAMPTHIF1AEPAS1ROCK2
SCHEMBL31037329 0.85 NAMPT (0.45) NAMPTKDM1ACHRNA7HIF1AEPAS1
SCHEMBL31744293 0.82 NAMPT (0.46) NAMPTKDM1AHIF1AEPAS1ROCK2
SCHEMBL31037297 0.79 NAMPT (0.44) NAMPTHIF1AEPAS1ROCK2
SCHEMBL31037344 0.79 NAMPT (0.50) NAMPTCHRNA7HIF1AEPAS1EPHX2

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 2 patents. 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
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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