SCHEMBL11580799

SCHEMBL11580799

O=C1c2ccccc2C(=O)c2c(Oc3cccc4cccc(Cl)c34)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.45
CYP3A4 P08684 1/20 0.45
DNMT1 P26358 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
MAPT P10636 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KCNA3 P22001 1/20 0.43
ADORA2A P29274 3/20 0.40
TDP1 Q9NUW8 4/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL6415480 0.82 KCNA3 (0.57) PABPC1CYP3A4MAPTMEN1KMT2A
SCHEMBL11581927 0.81 MAPT (0.44) PABPC1MAPTMEN1KMT2AALDH1A1
Benzene SCHEMBL28156555 0.81 KCNA3 (0.60) PABPC1CYP3A4MAPTMEN1KMT2A
SCHEMBL14374951 0.80 CYP3A4 (0.52) PABPC1CYP3A4DNMT1CASP1CASP7
SCHEMBL11581930 0.79 ALDH1A1 (0.54) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL27644911 0.78 MAPT (0.59) PABPC1CYP3A4DNMT1CASP1CASP7
SCHEMBL11580802 0.78 ALDH1A1 (0.49) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL11106495 0.77 MAPT (0.50) MAPTMEN1KMT2ARAB9ASMN1; SMN2
Benzanthrone SCHEMBL28095246 0.75 PABPC1 (0.70) PABPC1CYP3A4DNMT1CASP1CASP7
SCHEMBL11565971 0.75 MAPT (0.50) PABPC1CYP3A4DNMT1CASP1CASP7

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-4126626-A DYES, POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed