SCHEMBL9706636

SCHEMBL9706636

CCc1n[nH]c(COCc2ccccc2)c1Cc1ccc2c(-c3ccccc3C(=O)O)oc(Br)c2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
PTPN1 P18031 1/20 0.31
BRS3 P32247 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL9467215 0.91 PARP1 (0.30) PARP1
SCHEMBL9706631 0.90 AGTR1 (0.39)
SCHEMBL9467207 0.81 AGTR1 (0.35)
SCHEMBL9706707 0.74 PTGDR2 (0.42)
SCHEMBL9706632 0.74 PTGDR2 (0.37) PPARG
SCHEMBL9468179 0.74 PTGDR2 (0.37)
SCHEMBL7314778 0.67 TSHR (0.46) ALDH1A1HPGDMEN1KMT2A
SCHEMBL7312950 0.67 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9468626 0.66 PTGDR2 (0.33)
SCHEMBL9468523 0.66 PTGDR2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed