SCHEMBL31037470

SCHEMBL31037470

O=C(NCCc1ccc([N+](=O)[O-])nc1)Nc1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1.O=C(O)Nc1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1.O=C(O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.42
▸ ROCK2 O75116 3/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ PRMT3 O60678 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ KIT P10721 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL31037241 0.94 NAMPT (0.46) NAMPTROCK2ROCK1PRMT3GAA
SCHEMBL31037522 0.82 NAMPT (0.49) NAMPTROCK2ROCK1PRMT3CNR1
SCHEMBL31037302 0.81 NAMPT (0.51) NAMPTROCK2ROCK1PRMT3CNR1
SCHEMBL31037299 0.79 NAMPT (0.53) NAMPTROCK2ROCK1PRMT3CNR1
SCHEMBL31037371 0.77 NAMPT (0.48) NAMPTROCK2ROCK1PRMT3CNR1
SCHEMBL31037292 0.75 NAMPT (0.45) NAMPTROCK2ROCK1PRMT3GAA
SCHEMBL31744309 0.75 NAMPT (0.41) NAMPTGAAKMT2AKDRMEN1
SCHEMBL31037447 0.74 ROCK2 (0.49) NAMPTROCK2ROCK1PRMT3KMT2A
SCHEMBL31037328 0.74 NAMPT (0.46) NAMPTPRMT3RAB9A
SCHEMBL31037281 0.73 ROCK2 (0.48) NAMPTROCK2ROCK1PRMT3KMT2A

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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