SCHEMBL28168179

SCHEMBL28168179

CN(O[SH](=O)=O)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.39
▸ ESR1 P03372 3/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ NFKB1 P19838 3/20 0.33
▸ RECQL P46063 3/20 0.33
▸ BLM P54132 3/20 0.33
▸ HIF1A Q16665 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 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
SCHEMBL28168182 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL27700429 0.79 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL27450285 0.79 TDP1 (0.48) ALDH1A1MEN1KMT2AALOX15RECQL
SCHEMBL27294646 0.78 HTT (0.43) ALDH1A1MEN1KMT2AALOX15NPC1
SCHEMBL27297501 0.76 CYP2A6 (0.55) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL27350154 0.75 — —
SCHEMBL27809709 0.75 ALDH1A1 (0.41) APPALDH1A1MEN1KMT2AMAPT
SCHEMBL27787739 0.74 MAPT (0.42) ALDH1A1MEN1KMT2AHPGDRECQL
SCHEMBL29128236 0.73 APP (0.45) APPESR1CRHBPCRHR2TLR9
SCHEMBL27397021 0.70 LMNA (0.42) APPESR1CRHBPCRHR2TLR9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1816527-A Nitrogen-containing heteroaryl compounds and their use in increasing endogenous erythropoietin FIBROGEN INC (US) 2006-08-09 — — CN claimed
CN-107056799-B The double heptene sulfamide compounds of suberic acid monoanilide group oxygen bridge, its synthetic method, application and anti-breast cancer medicines composition 武汉宏兹生物技术有限公司 2019-06-14 — — CN disclosed
CN-107056799-A The double heptene sulfamide compounds of suberic acid monoanilide group oxygen bridge, its synthetic method, using and anti-breast cancer medicines composition 武汉宏兹生物技术有限公司 2017-08-18 — — CN disclosed
CN-101420980-A The Compounds and methods for of treatment apoplexy FIBROGEN INC (US) 2009-04-29 — — CN disclosed
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