SCHEMBL7297876

SCHEMBL7297876

CC([O])S(=O)(=O)c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 4/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LARS1 Q9P2J5 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL6096851 0.84 HPGD (0.38) HPGDKMT2ANPC1PTGS2LMNA
SCHEMBL7297885 0.80 HPGD (0.40) HPGDKMT2ANPC1PTGS2LMNA
SCHEMBL3626861 0.79 KMT2A (0.34) HPGDKMT2ANPC1PTGS2LMNA
SCHEMBL3328703 0.76 HTR6 (0.48) LMNASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL9385444 0.74 GAA (0.54) KMT2ALMNAHTTSMN1; SMN2MEN1
SCHEMBL3628951 0.74 HDAC8 (0.36) HPGDKMT2ANPC1LMNAMAOA
SCHEMBL7295923 0.73 HCAR2 (0.30) —
SCHEMBL1148423 0.70 LMNA (0.38) KMT2ANPC1PTGS2LMNAHTT
SCHEMBL2377128 0.70 ENPP2 (0.50) PTGS2SMN1; SMN2PTGS1ALDH1A1CYP3A4
SCHEMBL20088827 0.70 NAMPT (0.55) HPGDKMT2APTGS2LMNAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 — — US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 — — US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 — — EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 — — EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 — — WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 — — US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 — — EP disclosed
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