SCHEMBL27697017

SCHEMBL27697017

O=C(C=Cc1ccccc1)c1cc(O)c(Cl)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.73
MAPT P10636 4/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
MEN1 O00255 1/20 0.63
CYP3A4 P08684 1/20 0.63
THRB P10828 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 1/20 0.63
GUSB P08236 1/20 0.63
BCHE P06276 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAOB P27338 3/20 0.60
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL30000230 0.92 AR (0.75) ARMAPTKDM4EALDH1A1KMT2A
SCHEMBL30384316 0.84 AR (0.78) ARMAPTKDM4EALDH1A1KMT2A
SCHEMBL10830021 0.84 AR (1.00) ARMAPTKDM4EALDH1A1KMT2A
SCHEMBL11050763 0.84 AR (1.00) ARMAPTKDM4EALDH1A1KMT2A
SCHEMBL25266016 0.84 AR (0.78) ARMAPTKDM4EALDH1A1KMT2A
SCHEMBL25202088 0.84 AR (0.78) ARMAPTKDM4EALDH1A1KMT2A
SCHEMBL5138775 0.84 AR (0.63) ARMAPTKDM4EALDH1A1KMT2A
SCHEMBL5138776 0.84 AR (0.63) ARMAPTKDM4EALDH1A1KMT2A
SCHEMBL5088647 0.83 MAPT (0.62) ARMAPTKMT2AMEN1CYP3A4
SCHEMBL5088653 0.83 MAPT (0.62) ARMAPTKMT2AMEN1CYP3A4

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
CN-101143861-A B ring 4'-single substituted flavone compounds, preparation method and use SHANGHAI INST MATERIA MEDICA (CN) 2008-03-19 CN disclosed