SCHEMBL28169388

SCHEMBL28169388

O=C(NC[SH](=O)=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.63
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ CTSG P08311 1/20 0.50
▸ CTRB1 P17538 1/20 0.50
▸ CMA1 P23946 1/20 0.50
▸ CA12 O43570 1/20 0.50

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
SCHEMBL289887 0.78 GAA (0.68) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27865770 0.78 ALDH1A1 (0.55) GAANPC1SMN1; SMN2LMNAPOLB
SCHEMBL3192014 0.78 LMNA (0.77) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8215174 0.78 GAA (1.00) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28194390 0.77 HDAC3 (0.59) HDAC1HDAC6HDAC3PRSS1CA12
SCHEMBL27938991 0.77 NPC1 (0.62) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29114683 0.76 HDAC1 (0.63) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL619878 0.76 GAA (0.71) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5858228 0.76 GAA (0.71) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1628440 0.75 GAA (0.63) GAANPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574927-A N- (substituted sulphonyl) benzamide derivatives and preparation method thereof and medical usage 浙江海正药业股份有限公司 2019-04-05 — — CN disclosed
CN-104718188-B The benzamides of N- substitutions and its purposes in treating pain 基因泰克公司 2018-08-21 — — CN disclosed
CN-107835805-A Substituted benzamides and methods of use thereof 基因泰克公司 2018-03-23 — — CN disclosed
CN-107428683-A N sulphonyl yl-benzamide derivatives, its preparation method and the purposes pharmaceutically of heterocyclic substituted 上海海雁医药科技有限公司 2017-12-01 — — CN disclosed
CN-107406380-A N sulphonyl yl-benzamide derivatives, its preparation method and the purposes pharmaceutically of heterocyclic substituted 上海海雁医药科技有限公司 2017-11-28 — — CN disclosed
CN-107207430-A Heterocyclic substituted N-sulfonyl benzamide derivative, preparation method and medical application thereof 上海海雁医药科技有限公司 2017-09-26 — — CN disclosed
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