SCHEMBL29069652

SCHEMBL29069652

COC(=O)CCSc1ccc2c(Br)n[nH]c2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ PRNP P04156 1/20 0.35
▸ GSK3B P49841 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CXCR1 P25024 1/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL30320915 1.00 GSTP1 (0.40) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL30321002 0.82 GSTP1 (0.39) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL29069631 0.82 GSTP1 (0.39) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL30320927 0.80 GSTP1 (0.41) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL29069624 0.80 GSTP1 (0.41) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL30320875 0.80 GSTP1 (0.38) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL29069633 0.76 GSTP1 (0.41) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL30424105 0.76 GSTP1 (0.41) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL29069650 0.75 GSTP1 (0.41) GSTP1GSTM2KMT2APOLBRXFP1
SCHEMBL18319841 0.70 KMT2A (0.45) GSTP1GSTM2KMT2APOLBRXFP1

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-116323566-B Sulfanone compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-05-17 — — CN disclosed
CN-116323566-A Sulfanone compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-06-23 — — CN disclosed
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