SCHEMBL7849503

SCHEMBL7849503

COc1c[c]cc(OC)c1I

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP3A4 P08684 1/20 0.31
MAPT P10636 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
SCHEMBL945282 0.75 ACHE (0.34) CA9CYP3A4MAPT
SCHEMBL7286813 0.75 ACHE (0.30)
SCHEMBL312352 0.74 CA12 (0.36) CA12CA1CA2CA4CA7
SCHEMBL76231 0.74 ACHE (0.48) CA12CA1CA2CA4CA7
SCHEMBL6196771 0.74 APP (0.38) CA12CA1CA2CA4CA7
SCHEMBL499678 0.72 CA12 (0.35) CA12CA1CA2CA4CA7
SCHEMBL392541 0.72 LMNA (0.43) CA12CA1CA2CA4CA7
SCHEMBL28681440 0.72 L3MBTL1 (0.41) CA12CA1CA2CA4CA7
SCHEMBL1578724 0.72 MAPT (0.38) CA12CA1CA2CA4CA7
SCHEMBL2287605 0.72 CA12 (0.35) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
CN-1046730-C Pyrazolo [1,5-a ] pyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 1999-11-24 CN disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
CN-1131948-A Pyrazolo [1, 5-a ] pyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-25 CN disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed