SCHEMBL31344827

SCHEMBL31344827

Cc1nc2cc(C#N)c(N)c(Br)c2s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL31344809 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTNPC1TP53
SCHEMBL31344826 0.72 PKMYT1 (0.34) SMN1; SMN2KDM4E
SCHEMBL27403357 0.72 MAPT (0.39) ALDH1A1MAPTHSD17B10GAAKDM4E
SCHEMBL31344829 0.70 GPR35 (0.35) ALDH1A1HSD17B10GAAKDM4E
SCHEMBL31344823 0.68 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTNPC1TP53
SCHEMBL27403571 0.67 KDM4E (0.36) SMN1; SMN2ALDH1A1MAPTNPC1TP53
SCHEMBL25156246 0.66 PSMB8 (0.44) SMN1; SMN2ALDH1A1MAPTNPC1TP53
SCHEMBL25604313 0.64 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTNPC1TP53
SCHEMBL25604312 0.64 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTNPC1TP53
SCHEMBL30971303 0.63 CSNK2A1 (0.33) ALDH1A1KDM4E

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-119569651-A Carboxamide derivatives, pharmaceutical compositions containing the same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-03-07 CN disclosed