SCHEMBL6504199

SCHEMBL6504199

COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.77
CYP1A1 P04798 5/20 0.77
CYP1A2 P05177 5/20 0.77
ABCB1 P08183 5/20 0.77
MAOA P21397 4/20 0.77
FTO Q9C0B1 2/20 0.77
CYP3A4 P08684 6/20 0.76
CYP2D6 P10635 5/20 0.76
KDM4E B2RXH2 5/20 0.64
RECQL P46063 4/20 0.64
POLH Q9Y253 3/20 0.64
POLB P06746 2/20 0.64
APEX1 P27695 2/20 0.64
MCL1 Q07820 1/20 0.64
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 6/20 0.60
LMNA P02545 4/20 0.60
IP6K2 Q9UHH9 4/20 0.60
ALDH1A1 P00352 3/20 0.60

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
Kaempferide SCHEMBL426774 0.87 CYP1A2 (1.00) CYP1B1CYP1A1CYP1A2ABCB1MAOA
Kaempferide SCHEMBL29371282 0.87 CYP1A2 (1.00) CYP1B1CYP1A1CYP1A2ABCB1MAOA
Ermanin SCHEMBL2875089 0.86 CYP3A4 (1.00) CYP1B1CYP1A1CYP1A2ABCB1MAOA
SCHEMBL6502620 0.85 CYP1A1 (0.78) CYP1B1CYP1A1CYP1A2ABCB1MAOA
SCHEMBL29711182 0.85 CYP1A1 (0.78) CYP1B1CYP1A1CYP1A2ABCB1MAOA
SCHEMBL6502058 0.82 ABCB1 (0.68) CYP1B1CYP1A1CYP1A2ABCB1MAOA
SCHEMBL6494662 0.82 MEN1 (0.79) CYP1B1CYP1A1CYP1A2ABCB1MAOA
SCHEMBL31548920 0.81 CYP3A4 (0.80) CYP1B1CYP1A1CYP1A2ABCB1MAOA
SCHEMBL748643 0.81 MAOA (0.90) CYP1B1CYP1A1CYP1A2ABCB1MAOA
SCHEMBL30131217 0.80 CYP3A4 (0.88) CYP1B1CYP1A1CYP1A2ABCB1MAOA

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
WO-2005016907-A1 NOVEL FLAVONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-02-24 WO disclosed