SCHEMBL30857592

SCHEMBL30857592

COC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CNCCN21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.72
ALOX15 P16050 2/20 0.72
HTR2C P28335 11/20 0.69
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 4/20 0.55
HTR2A P28223 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 1/20 0.54
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
USP2 O75604 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2507969 0.83 HSD17B10 (0.93) HSD17B10ALOX15L3MBTL1ALDH1A1GAA
SCHEMBL29114224 0.80 HSD17B10 (0.69) HSD17B10ALOX15HTR2CL3MBTL1ALDH1A1
SCHEMBL11453712 0.79 HTR2C (0.65) HSD17B10ALOX15HTR2CALDH1A1HTR2A
SCHEMBL11445688 0.78 HTR2C (0.71) HTR2CALDH1A1HTR2ACYP1A2CYP3A4
SCHEMBL29114225 0.78 ALOX15 (0.60) HSD17B10ALOX15HTR2CL3MBTL1ALDH1A1
SCHEMBL29114173 0.77 HTR2C (0.60) HSD17B10ALOX15HTR2CL3MBTL1ALDH1A1
SCHEMBL11455825 0.77 HTR2C (0.81) HTR2CALDH1A1HTR2ACYP1A2CYP3A4
SCHEMBL11481472 0.77 HTR2C (0.65) HTR2CALDH1A1HTR2ACYP1A2CYP3A4
SCHEMBL29114176 0.76 HSD17B10 (0.66) HSD17B10ALOX15HTR2CL3MBTL1ALDH1A1
SCHEMBL11447027 0.75 HTR2C (0.57) HSD17B10ALOX15HTR2CL3MBTL1ALDH1A1

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-2024067818-A1 CHIMERIC COMPOUND USED FOR TARGETED DEGRADATION OF BCL-2 PROTEIN, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2024-04-04 WO disclosed