SCHEMBL29506066

SCHEMBL29506066

COC(=O)CCSc1ccnc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.46
▸ GSTM2 P28161 1/20 0.46
▸ KMT2A Q03164 5/20 0.38
▸ PRNP P04156 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CXCR1 P25024 1/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL21855872 1.00 GSTP1 (0.46) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL28937038 0.85 ALDH1A1 (0.43) KMT2APRNPPOLBRXFP1ALDH1A1
SCHEMBL22493827 0.79 NUDT1 (0.47) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL21856012 0.77 JAK2 (0.39) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29505980 0.77 JAK2 (0.39) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL22440531 0.75 KMT2A (0.42) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29506065 0.75 GSTP1 (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL21855732 0.75 GSTP1 (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL18319841 0.74 KMT2A (0.45) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29506060 0.74 KMT2A (0.45) GSTP1GSTM2KMT2APRNPPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341124-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-09-20 — — CN disclosed
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 — — CN disclosed
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