SCHEMBL7290355

SCHEMBL7290355

[O]CCSc1ccc2[nH]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
PRKCI P41743 1/20 0.35
CYP3A4 P08684 1/20 0.35
NAMPT P43490 1/20 0.35
XDH P47989 1/20 0.35
RAD52 P43351 1/20 0.34
QPCT Q16769 6/20 0.33
QPCTL Q9NXS2 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL7290363 0.84 QPCT (0.47) POLBMAPTKDM4EALDH1A1APEX1
SCHEMBL8425535 0.80 MAPT (0.39) POLBMAPTKDM4EALDH1A1APEX1
SCHEMBL7291370 0.79 POLB (0.48) POLBMAPTKDM4EALDH1A1HDAC6
SCHEMBL1976000 0.74 QPCT (0.45) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL8733538 0.73 QPCT (0.44) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL8425541 0.71 POLB (0.46) POLBMAPTKDM4EPRKCICYP3A4
SCHEMBL14638352 0.70 MAPT (0.42) POLBMAPTKDM4EALDH1A1APEX1
SCHEMBL24359637 0.70 MAPT (0.41) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL10818466 0.70 GABRA1 (0.47) POLBMAPTKDM4EALDH1A1APEX1
SCHEMBL7291376 0.70 QPCT (0.49) POLBMAPTKDM4EALDH1A1HDAC6

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