SCHEMBL31509783

SCHEMBL31509783

O=c1[nH]c2ccsc2c(=O)n1-c1cncc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 2/20 0.37
▸ GNRHR P30968 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL31509768 0.82 HTT (0.48) HTTTSHRPOLBTHRBKMT2A
SCHEMBL27192061 0.81 CYP1A2 (0.32) HTTKDM4EGAAHPGDCYP1A2
SCHEMBL27192148 0.76 AURKA (0.41) HTTKMT2AKDM4EGAAHPGD
SCHEMBL27192305 0.76 CYP1A1 (0.37) HTTKMT2AKDM4EGAAHPGD
SCHEMBL27191835 0.71 MALT1 (0.36) KMT2AKDM4EGAAHPGDGNRHR
SCHEMBL27192094 0.71 ALDH1A1 (0.47) HTTKMT2AKDM4EHPGDHSD17B10
SCHEMBL27191873 0.70 CLK1 (0.35) KMT2AKDM4EGAAHPGDHSD17B10
SCHEMBL30702075 0.70 CLK1 (0.35) KMT2AKDM4EGAAHPGDHSD17B10
SCHEMBL31268501 0.68 HPGD (0.46) HTTTSHRKDM4EGAAHPGD
SCHEMBL31268500 0.68 HPGD (0.46) HTTTSHRKDM4EGAAHPGD

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-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
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