SCHEMBL6093005

SCHEMBL6093005

O=[C]c1ccccc1Cc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
CMA1 P23946 1/20 0.45
VKORC1 Q9BQB6 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.44
MIF P14174 1/20 0.44
SLC6A4 P31645 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5191425 0.83 KMT2A (0.60) KMT2ATSHRMEN1ALDH1A1NPC1
SCHEMBL7144056 0.77 KMT2A (0.62) KMT2APKMTSHRSMN1; SMN2MEN1
SCHEMBL21154355 0.76 CALM1 (0.54) KMT2AMEN1VKORC1TAAR1CYP3A4
SCHEMBL6724285 0.76 CYP3A4 (0.51) KMT2APKMTSHRSMN1; SMN2TAAR1
SCHEMBL9672470 0.76 TAAR1 (0.53) KMT2APKMTSHRSMN1; SMN2TAAR1
SCHEMBL109195 0.76 TAAR1 (0.64) CMA1TAAR1CYP1A2CYP3A4ALDH1A1
SCHEMBL28766778 0.75 MIF (0.55) KMT2APKMTSHRSMN1; SMN2MEN1
SCHEMBL1422874 0.75 ALDH1A1 (0.58) TAAR1CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL108109 0.74 TAAR1 (0.62) CMA1TAAR1CYP1A2CYP3A4ALDH1A1
SCHEMBL9391810 0.74 CYP1A2 (0.49) KMT2AMEN1TAAR1CYP1A2CYP3A4

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
US-7009062-B2 Process for the preparation of flavone derivatives MERCK PATENT GMBH (DE) 2006-03-07 US disclosed