SCHEMBL4680931

SCHEMBL4680931

CC(C[O])CS(=O)(=O)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.42
MMP1 P03956 3/20 0.42
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
PSIP1 O75475 1/20 0.32
LARS1 Q9P2J5 1/20 0.32
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL4680935 0.84 MMP13 (0.41) MMP13MMP1KMT2ANPC1HPGD
SCHEMBL7347205 0.81 PSIP1 (0.54) MMP13MMP1KMT2ASMN1; SMN2HTT
SCHEMBL4682741 0.80 NAPRT (0.47) MMP13MMP1
SCHEMBL6099903 0.78 MMP13 (0.38) MMP13MMP1KMT2ANPC1MMP2
SCHEMBL14139007 0.73 PSIP1 (0.58) KMT2ANPC1LMNASMN1; SMN2HPGD
SCHEMBL4686086 0.73 KMT2A (0.44) MMP1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL7349112 0.72 KMT2A (0.33) MMP13MMP1KMT2AALDH1A1
SCHEMBL29296547 0.72 NPC1 (0.49) MMP13MMP1KMT2ANPC1HPGD
SCHEMBL3628991 0.71 KMT2A (0.43) MMP1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL4685556 0.70 TSHR (0.47) KMT2ANPC1L3MBTL1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP 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