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SCHEMBL31037446

SCHEMBL31037446

CC(C)(C)N(C(=O)O)C1CCN(CCNC(=O)c2ccc(C#Cc3cc(NC(=O)NCCc4cccnc4)ccc3-c3ccncc3)cc2)C1.NC1CCN(CCNC(=O)c2ccc(C#Cc3cc(NC(=O)NCCc4cccnc4)ccc3-c3ccncc3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.36
▸ EPAS1 Q99814 3/20 0.36
▸ NAMPT P43490 8/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ EIF4E P06730 1/20 0.34
▸ RET P07949 1/20 0.34
▸ PTAFR P25105 1/20 0.34

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
SCHEMBL31037295 0.91 NAMPT (0.42) HIF1AEPAS1NAMPTROCK2CHRM4
SCHEMBL31037264 0.88 NAMPT (0.43) HIF1AEPAS1NAMPTROCK2ABL1
SCHEMBL31037490 0.87 NAMPT (0.39) HIF1AEPAS1NAMPTROCK2
SCHEMBL31037506 0.86 KDM1A (0.36) HIF1AEPAS1NAMPTABL1
SCHEMBL31037313 0.83 NPY5R (0.40) HIF1AEPAS1NAMPTROCK2CHRM4
SCHEMBL31037282 0.82 NAMPT (0.42) HIF1AEPAS1NAMPTROCK2
SCHEMBL31037343 0.82 NAMPT (0.53) HIF1AEPAS1NAMPTABL1
SCHEMBL31037481 0.82 NAMPT (0.53) HIF1AEPAS1NAMPTABL1
SCHEMBL31037245 0.81 NAMPT (0.39) HIF1AEPAS1NAMPT
SCHEMBL31037297 0.81 NAMPT (0.44) HIF1AEPAS1NAMPTROCK2EIF4E

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