SCHEMBL28353139

SCHEMBL28353139

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ KDR P35968 2/20 0.42
▸ TARS1 P26639 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.39
▸ LARS1 Q9P2J5 2/20 0.39
▸ FBP1 P09467 8/20 0.38
▸ ALKBH2 Q6NS38 1/20 0.38
▸ ALKBH3 Q96Q83 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL11158123 0.76 RAB9A (0.43) KDRCA12CA1CA2CA9
SCHEMBL11821346 0.69 KMO (0.51) KDRPLK4AURKAROCK2RPS6KA5
SCHEMBL28835971 0.69 ENPP1 (0.45) KDRCA1CA2MAP4K4ABL1
SCHEMBL11901043 0.68 MAP4K4 (0.48) KDM4EKDRMAP4K4ABL1LCK
SCHEMBL19332530 0.68 CA2 (0.51) NLRP3FBP1CA12CA1CA2
SCHEMBL29433655 0.67 TBXA2R (0.66) TBXA2RKDM4ECYP3A4CYP2C9HIF1A
SCHEMBL10460903 0.66 TBXA2R (0.62) TBXA2RKDM4ECYP3A4CYP2C9HIF1A
SCHEMBL28827564 0.65 TBXA2R (0.45) TBXA2RKDM4ECYP3A4CYP2C9HIF1A
Torsemide SCHEMBL4015063 0.64 TBXA2R (1.00) TBXA2RKDM4ECYP3A4CYP2C9HIF1A
Torsemide SCHEMBL41184 0.64 TBXA2R (1.00) TBXA2RKDM4ECYP3A4CYP2C9HIF1A

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-115137696-A Torasemide injection and preparation method thereof 南京力博维制药有限公司 2022-10-04 — — CN disclosed
CN-110606860-B Pyridine sulfonamide phosphate compound, preparation method and application thereof 上海勋和医药科技有限公司 2021-12-10 — — CN disclosed
CN-110054647-B Torasemide phosphate prodrugs, preparation method and composition thereof 上海勋和医药科技有限公司 2021-06-15 — — 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-110606860-A Pyridine sulfonamide phosphate compound, preparation method and application thereof 上海勋和医药科技有限公司 2019-12-24 — — CN disclosed
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