SCHEMBL31037269

SCHEMBL31037269

NC(=O)c1ccc(C#Cc2cc(NC(=O)NCCc3cccnc3)ccc2-c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ PRMT3 O60678 1/20 0.45
▸ NAMPT P43490 7/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTAFR P25105 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL31037281 0.91 ROCK2 (0.48) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037302 0.90 NAMPT (0.51) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037447 0.89 ROCK2 (0.49) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037299 0.87 NAMPT (0.53) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037325 0.86 ROCK2 (0.46) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31744293 0.86 NAMPT (0.46) ROCK2ROCK1PRMT3NAMPT
SCHEMBL31037243 0.85 ROCK2 (0.43) ROCK2ROCK1PRMT3NAMPT
SCHEMBL31037481 0.84 NAMPT (0.53) NAMPT
SCHEMBL31037343 0.84 NAMPT (0.53) NAMPT
SCHEMBL31037486 0.83 ROCK2 (0.54) ROCK2ROCK1PRMT3NAMPTL3MBTL1

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
Send feedback