SCHEMBL29069624

SCHEMBL29069624

COC(=O)CCSc1ccc2c(Br)nsc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.41
▸ GSTM2 P28161 1/20 0.41
▸ KMT2A Q03164 7/20 0.36
▸ PRNP P04156 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ CXCR1 P25024 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL30320927 1.00 GSTP1 (0.41) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL30320915 0.80 GSTP1 (0.40) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29069652 0.80 GSTP1 (0.40) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29069662 0.80 GSTP1 (0.40) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL30320875 0.76 GSTP1 (0.38) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29069661 0.74 GSTP1 (0.39) GSTP1GSTM2KMT2ARXFP1TDP1
SCHEMBL29069631 0.74 GSTP1 (0.39) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL30321002 0.74 GSTP1 (0.39) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29069650 0.73 GSTP1 (0.41) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL18319841 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-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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