SCHEMBL11158123

SCHEMBL11158123

Cc1cccc(-c2ccnc(N)c2S(N)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ KDR P35968 3/20 0.42
▸ MAP4K4 O95819 3/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ MET P08581 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ FGFR1 P11362 1/20 0.42

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
SCHEMBL28024587 0.81 IKBKB (0.41) IKBKBCHUKCA1CA2MAP4K4
SCHEMBL28835971 0.80 ENPP1 (0.45) RAB9AIKBKBCHUKNPC1CA1
SCHEMBL11901043 0.79 MAP4K4 (0.48) RAB9ANPC1KDRMAP4K4LRRK2
SCHEMBL28353139 0.76 TBXA2R (0.47) CA1CA2KDRMAP4K4ABL1
SCHEMBL11821346 0.74 KMO (0.51) RAB9ANPC1KDRMAP4K4LRRK2
SCHEMBL6743007 0.74 FEN1 (0.41) RAB9ANPC1CA1CA2LRRK2
SCHEMBL4582784 0.73 MAP4K4 (0.69) RAB9ANPC1KDRMAP4K4LRRK2
SCHEMBL15865105 0.73 CYP17A1 (0.39) IKBKBCHUKCA1CA2ADORA1
SCHEMBL28960689 0.70 HEXA (0.46) RAB9ANPC1KDRMAP4K4LRRK2
SCHEMBL19475077 0.69 ALOX5AP (0.46) RAB9ANPC1CA1CA2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010659-A New impurity reference substance of torasemide and preparation method thereof 南京正科医药股份有限公司 2022-09-06 — — CN claimed
CN-115417810-B Refining method of torsemide crystal form I 南京正科医药股份有限公司 2023-10-10 — — CN disclosed
CN-115417810-A Refining method of torasemide crystal form I 南京正科医药股份有限公司 2022-12-02 — — CN disclosed
CN-115010659-A New impurity reference substance of torasemide and preparation method thereof 南京正科医药股份有限公司 2022-09-06 — — CN disclosed
CN-110606826-B Torasemide sodium monohydrate, crystal forms and compositions thereof 上海勋和医药科技有限公司 2021-06-01 — — CN disclosed
CN-110606826-A Torasemide sodium monohydrate, crystal forms and compositions thereof 上海勋和医药科技有限公司 2019-12-24 — — CN disclosed
CN-102702089-B Method for preparing high-purity torasemide and crystal form I thereof LIANYUNGANG JARI PHARMACEUTICAL CO LTD 2014-08-27 — — CN disclosed
CN-102702089-A Method for preparing high-purity torasemide and crystal form I thereof LIANYUNGANG JARI PHARMACEUTICAL CO LTD 2012-10-03 — — CN disclosed
EP-0003383-B1 4-AMINO-3-SULFONAMIDO PYRIDINE DERIVATIVES A. CHRISTIAENS SOCIETE ANONYME (BE) 1983-02-09 — — EP disclosed
EP-0003383-A2 4-Amino-3-sulfonamido pyridine derivatives A. CHRISTIAENS SOCIETE ANONYME (BE) 1979-08-08 — — EP disclosed
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