SCHEMBL7288245

SCHEMBL7288245

OCNCC(O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
AOC3 Q16853 3/20 0.61
KMT2A Q03164 1/20 0.59
LMNA P02545 3/20 0.56
BCAT2 O15382 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ADRB2 P07550 1/20 0.51
PLA2G1B P04054 1/20 0.50
POLB P06746 1/20 0.50
ATG4B Q9Y4P1 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
SCHEMBL7532494 0.89 KDM4E (1.00) KDM4EL3MBTL1AOC3KMT2ALMNA
SCHEMBL4408535 0.89 KDM4E (1.00) KDM4EL3MBTL1AOC3KMT2ALMNA
SCHEMBL1626455 0.83 KDM4E (0.73) KDM4EL3MBTL1AOC3KMT2ALMNA
SCHEMBL6320068 0.83 KDM4E (0.73) KDM4EL3MBTL1AOC3KMT2ALMNA
Hydrochloric Acid SCHEMBL30662166 0.82 KDM4E (0.70) KDM4EL3MBTL1AOC3KMT2ALMNA
SCHEMBL2011932 0.81 KDM4E (0.76) KDM4EL3MBTL1AOC3KMT2ALMNA
SCHEMBL9332764 0.81 KDM4E (0.76) KDM4EL3MBTL1AOC3KMT2ALMNA
SCHEMBL2016180 0.81 KDM4E (0.76) KDM4EL3MBTL1AOC3KMT2ALMNA
SCHEMBL1738957 0.81 KDM4E (0.76) KDM4EL3MBTL1AOC3KMT2ALMNA
SCHEMBL7288239 0.81 KDM4E (0.76) KDM4EL3MBTL1AOC3KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO disclosed
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