SCHEMBL29506152

SCHEMBL29506152

COC(=O)CCSc1ccnc2c1CCC2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.38
▸ GSTM2 P28161 1/20 0.38
▸ PTPN11 Q06124 1/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ PRNP P04156 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CXCR1 P25024 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL21855863 1.00 GSTP1 (0.38) GSTP1GSTM2PTPN11KMT2APRNP
SCHEMBL18319553 0.78 KMT2A (0.40) GSTP1GSTM2PTPN11KMT2APRNP
SCHEMBL22440562 0.77 GSTP1 (0.41) GSTP1GSTM2PTPN11KMT2APRNP
SCHEMBL26922516 0.74 KMT2A (0.38) GSTP1GSTM2PTPN11KMT2APRNP
SCHEMBL14884983 0.73 HSD11B1 (0.38) —
SCHEMBL21855732 0.72 GSTP1 (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29506065 0.72 GSTP1 (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL26923090 0.72 KMT2A (0.36) GSTP1GSTM2PTPN11KMT2APRNP
SCHEMBL18319841 0.71 KMT2A (0.45) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29506060 0.71 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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