SCHEMBL29069650

SCHEMBL29069650

COC(=O)CCSc1ccc2[nH]ncc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.41
▸ GSTM2 P28161 1/20 0.41
▸ ABL1 P00519 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ROCK1 Q13464 4/20 0.36
▸ ROCK2 O75116 3/20 0.35
▸ CXCR1 P25024 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ CDK2 P24941 3/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK3 Q00526 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ PRNP P04156 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL30424105 0.81 GSTP1 (0.41) GSTP1GSTM2ABL1RIN1TDP1
SCHEMBL29069633 0.81 GSTP1 (0.41) GSTP1GSTM2ABL1RIN1TDP1
SCHEMBL25395109 0.78 CYP3A4 (0.41) TDP1CDK2CCNE1
SCHEMBL29069631 0.76 GSTP1 (0.39) GSTP1GSTM2ABL1RIN1TDP1
SCHEMBL30321002 0.76 GSTP1 (0.39) GSTP1GSTM2ABL1RIN1TDP1
SCHEMBL22440531 0.75 KMT2A (0.42) GSTP1GSTM2ROCK2CXCR1CXCR2
SCHEMBL29069652 0.75 GSTP1 (0.40) GSTP1GSTM2ABL1RIN1TDP1
SCHEMBL30320915 0.75 GSTP1 (0.40) GSTP1GSTM2ABL1RIN1TDP1
SCHEMBL29069624 0.73 GSTP1 (0.41) GSTP1GSTM2ABL1RIN1TDP1
SCHEMBL30320927 0.73 GSTP1 (0.41) GSTP1GSTM2ABL1RIN1TDP1

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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