SCHEMBL10691434

SCHEMBL10691434

CCCCCC([O])c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.38
CNR2 P34972 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
PPARG P37231 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC3 O15379 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL18242250 0.86 HTT (0.41) RECQLHTTALDH1A1
SCHEMBL10062452 0.81 RECQL (0.41) RECQLHTTCNR2CYSLTR2CYSLTR1
SCHEMBL22358954 0.81 CYSLTR2 (0.47) RECQLHTTCYSLTR2CYSLTR1PPARG
SCHEMBL23169058 0.81 CYSLTR2 (0.47) RECQLHTTCYSLTR2CYSLTR1PPARG
SCHEMBL10060891 0.81 PPARG (0.45) RECQLHTTCNR2CYSLTR2CYSLTR1
SCHEMBL27604824 0.80 SLC2A1 (0.41) RECQLHTTCYSLTR2CYSLTR1CSNK1E
SCHEMBL23190512 0.80 RECQL (0.43) RECQLHTTCYSLTR2CYSLTR1PPARG
SCHEMBL8499483 0.80 PPARG (0.47) RECQLCYSLTR2CYSLTR1PPARGPRSS1
SCHEMBL9646398 0.80 PPARG (0.47) RECQLCYSLTR2CYSLTR1PPARGPRSS1
SCHEMBL6152931 0.80 PPARG (0.47) RECQLCYSLTR2CYSLTR1PPARGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727073-A CEREBOVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0177287-A2 Pyrimidine derivatives, processes for preparation thereof and composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-09 EP disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed