SCHEMBL31509768

SCHEMBL31509768

O=c1[nH]c2ccsc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 1/20 0.41
▸ GNRHR P30968 1/20 0.40
▸ CYP11B1 P15538 5/20 0.40
▸ CYP11B2 P19099 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NPEPPS P55786 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL31509783 0.82 HTT (0.45) HTTTSHRPOLBTHRBKMT2A
SCHEMBL31509793 0.82 NPEPPS (0.57) HTTHPGDCYP11B1CYP11B2ALDH1A1
SCHEMBL27192354 0.81 FEN1 (0.46) HTTGNRHRCYP11B1CYP11B2ALDH1A1
SCHEMBL27377473 0.80 FEN1 (0.36) HTTGNRHRCYP11B1CYP11B2NPEPPS
SCHEMBL27191767 0.80 CYP11B1 (0.40) HTTCYP11B1CYP11B2NPEPPSFEN1
SCHEMBL27192154 0.80 GRM4 (0.47) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL27192409 0.79 CYP11B1 (0.39) HTTCYP11B1CYP11B2NPEPPSFEN1
SCHEMBL27377344 0.78 ERCC5 (0.54) HTTTSHRCYP11B1CYP11B2ALDH1A1
SCHEMBL30615481 0.78 AURKA (0.51) CYP11B1CYP11B2NPEPPS
SCHEMBL27377847 0.77 NPEPPS (0.39) HTTCYP11B1CYP11B2NPEPPSFEN1

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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