SCHEMBL9952822

SCHEMBL9952822

Brc1cncc(-c2ncon2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.46
CYP2A6 P11509 2/20 0.40
PPARA Q07869 1/20 0.40
CYP11B2 P19099 3/20 0.37
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 2/20 0.35
KMO O15229 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PGR P06401 1/20 0.32
HTT P42858 2/20 0.32
ALOX15 P16050 1/20 0.32
LRRK2 Q5S007 1/20 0.32
P4HTM Q9NXG6 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RAB9A P51151 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
SCHEMBL4760887 0.75 PPARA (0.48) PPARACYP11B2CYP11B1KDM4ELRRK2
SCHEMBL13466167 0.74 MEN1 (0.50) PPARAPOLBMEN1KMT2AKDM4E
SCHEMBL29930074 0.74 MEN1 (0.50) PPARAPOLBMEN1KMT2AKDM4E
SCHEMBL24799621 0.74 IDH1 (0.40) PPARACYP11B2CYP11B1HTTRAB9A
SCHEMBL30516056 0.74 PPARA (0.40) PPARAKMO
SCHEMBL30516097 0.74 MKNK1 (0.47) PPARAPOLBHCAR2MEN1KMT2A
SCHEMBL24921196 0.74 CYP1A1 (0.46) PPARACYP11B2CYP11B1RAB9A
SCHEMBL29045049 0.74 PPARA (0.40) PPARAKMO
SCHEMBL6265803 0.73 PPARA (0.60) CYP2A6PPARACYP11B2POLBMEN1
SCHEMBL30516092 0.73 MKNK2 (0.49) CYP2A6PPARACYP11B2HCAR2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed