SCHEMBL29087635

SCHEMBL29087635

O=S(=O)(O)c1cc2ncccc2nc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ PTPRJ Q12913 1/20 0.36
▸ DUSP26 Q9BV47 1/20 0.36

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
SCHEMBL5439062 0.77 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27923287 0.76 LMNA (0.47) COMTALDH1A1CYP1A2HIF1AALOX15
SCHEMBL11293508 0.75 LMNA (0.46) COMTALDH1A1CYP1A2HIF1AALOX15
SCHEMBL27825821 0.73 L3MBTL1 (0.48) ALDH1A1ALOX15HSD17B10HPGDKDM4E
SCHEMBL23246436 0.73 KDM4E (0.52) COMTALDH1A1CYP1A2HIF1AALOX15
SCHEMBL2112972 0.72 COMT (0.49) COMTALDH1A1CYP1A2HIF1AALOX15
SCHEMBL29564068 0.72 COMT (0.49) COMTALDH1A1CYP1A2HIF1AALOX15
SCHEMBL13921642 0.72 ALDH1A1 (0.46) COMTALDH1A1CYP1A2HIF1AALOX15
SCHEMBL8847117 0.71 HSD17B10 (0.31) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL5243080 0.70 COMT (0.56) COMTALDH1A1CYP1A2HIF1AALOX15

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-116710169-A Integrin inhibitors and uses thereof 普利安特治疗公司 2023-09-05 — — CN claimed
CN-116710169-A Integrin inhibitors and uses thereof 普利安特治疗公司 2023-09-05 — — CN disclosed
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