SCHEMBL29123739

SCHEMBL29123739

O=C(NCc1ccc(Br)cc1)c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
CA2 P00918 2/20 0.60
CA1 P00915 1/20 0.60
MMP13 P45452 4/20 0.59
KMT2A Q03164 3/20 0.59
HSD17B10 Q99714 2/20 0.59
ROCK2 O75116 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RPS6KA5 O75582 1/20 0.59
MAP4K4 O95819 1/20 0.59
PRKCG P05129 1/20 0.59
PRKACA P17612 1/20 0.59
RPS6KB1 P23443 1/20 0.59
MAPK1 P28482 1/20 0.59
AKT1 P31749 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
PRKX P51817 1/20 0.59
PRKCD Q05655 1/20 0.59
PRKG2 Q13237 1/20 0.59

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
SCHEMBL9422508 0.93 MMP13 (0.68) L3MBTL1CA2CA1MMP13KMT2A
SCHEMBL1569157 0.88 L3MBTL1 (0.77) L3MBTL1CA2MMP13HSD17B10ROCK2
SCHEMBL29258273 0.85 NAMPT (0.70)
SCHEMBL7967175 0.84 ALDH1A1 (0.55) L3MBTL1CA2CA1MMP13KMT2A
SCHEMBL1568232 0.83 SMN1; SMN2 (0.74) L3MBTL1MMP13KMT2AROCK2ALDH1A1
SCHEMBL1569192 0.83 L3MBTL1 (1.00) L3MBTL1CA2MMP13HSD17B10ROCK2
SCHEMBL8374098 0.83 L3MBTL1 (0.71) L3MBTL1CA2MMP13KMT2AHSD17B10
SCHEMBL1569160 0.83 CYP3A4 (0.74) L3MBTL1CA2MMP13KMT2AROCK2
SCHEMBL1569194 0.83 ROCK2 (0.82) L3MBTL1CA1MMP13KMT2AROCK2
SCHEMBL27903146 0.83 HDAC6 (0.75) L3MBTL1CA2CA1KMT2AGAA

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
CN-117187840-A Method for electrochemically synthesizing pyridine carboxamide compound 阜阳师范大学 2023-12-08 CN disclosed