SCHEMBL31331152

SCHEMBL31331152

COc1ccc(Br)c2nccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.55
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NSD2 O96028 1/20 0.40
CASP6 P55212 1/20 0.40
ERN1 O75460 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2171704 1.00 NQO2 (0.55) NQO2MEN1KMT2ANSD2CASP6
SCHEMBL10780561 0.87 MEN1 (0.52) NQO2MEN1KMT2ANSD2CASP6
SCHEMBL30439125 0.79 MAPK1 (0.44) NQO2MEN1KMT2AADRA1DADRA1A
SCHEMBL1126077 0.79 MAPK1 (0.44) NQO2MEN1KMT2AADRA1DADRA1A
SCHEMBL12566073 0.77 NSD2 (0.54) NQO2MEN1KMT2ANSD2CASP6
SCHEMBL621309 0.77 KMT2A (0.54) NQO2MEN1KMT2ANSD2CASP6
SCHEMBL29855973 0.77 KMT2A (0.54) NQO2MEN1KMT2ANSD2CASP6
SCHEMBL13313439 0.77 HTR1A (0.48) NQO2MEN1KMT2ANSD2CASP6
SCHEMBL3152093 0.77 MEN1 (0.44) NQO2MEN1KMT2AHTR1AADRA1D
SCHEMBL7186122 0.76 MAPT (0.44) NQO2MEN1KMT2ANSD2CASP6

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-2025011623-A1 CYANOQUINOLINE-TARGETING PROTEIN DEGRADATION MOLECULE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海壹迪生物技术有限公司 2025-01-16 WO disclosed