SCHEMBL24920533

SCHEMBL24920533

COCc1ccnc(N2CCC3(CCN(S(C)(=O)=O)C3)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.57
ALDH1A1 P00352 10/20 0.57
CYP3A4 P08684 7/20 0.54
HPGD P15428 5/20 0.54
USP2 O75604 3/20 0.54
CYP2C19 P33261 8/20 0.49
CYP2D6 P10635 8/20 0.49
CYP1A2 P05177 7/20 0.49
CYP2C9 P11712 7/20 0.49
HIF1A Q16665 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 4/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL24920534 0.83 HSD17B10 (0.45) HSD17B10ALDH1A1CYP3A4HPGDUSP2
SCHEMBL24920516 0.82 HSD17B10 (0.41) HSD17B10ALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL24920538 0.81 DYRK1A (0.44) HSD17B10ALDH1A1CYP3A4USP2CYP2D6
SCHEMBL24920567 0.79 DYRK1A (0.38) HSD17B10ALDH1A1CYP3A4HPGDUSP2
SCHEMBL24920525 0.78 DYRK1A (0.52) HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL24920530 0.78 ALDH1A1 (0.51) HSD17B10ALDH1A1CYP3A4HPGDUSP2
SCHEMBL24921025 0.73 RXRA (0.39)
SCHEMBL24921032 0.72 AOC3 (0.39)
SCHEMBL24921040 0.71 AOC3 (0.44) MEN1KMT2A
SCHEMBL24921023 0.71 AOC3 (0.44) KMT2A

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed