SCHEMBL30158262

SCHEMBL30158262

Cc1cc(C(N)=O)c2cccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SYK P43405 9/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
AHR P35869 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PARP1 P09874 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
IL1B P01584 1/20 0.42
HTT P42858 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL24840562 0.85 DHODH (0.51) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30343936 0.77 SYK (0.40) KDM4ESYKNPC1MAPTAHR
SCHEMBL8221166 0.76 PARP1 (0.56) KDM4ESYKMAPTSMN1; SMN2PARP1
SCHEMBL1804352 0.76 PARP1 (0.56) KDM4ESYKMAPTSMN1; SMN2PARP1
SCHEMBL29185129 0.74 MKNK1 (0.45) KDM4ESYKNPC1RAB9ASMN1; SMN2
SCHEMBL5536749 0.74 ALDH1A1 (0.48) KDM4ESYKNPC1MAPTRAB9A
SCHEMBL29937108 0.74 ALDH1A1 (0.48) KDM4ESYKNPC1MAPTALDH1A1
SCHEMBL5536745 0.74 ALDH1A1 (0.48) KDM4ESYKNPC1MAPTALDH1A1
SCHEMBL31179024 0.74 NR4A2 (0.62) KDM4ESYKNPC1MAPTSMN1; SMN2
SCHEMBL3969039 0.73 ALDH1A1 (0.52) KDM4ESYKNPC1MAPTRAB9A

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-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed