SCHEMBL11042130

SCHEMBL11042130

O=C(Cl)Oc1cc2cc3ccccc3cc2cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MITF O75030 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
POLB P06746 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
ESR1 P03372 2/20 0.37
PKM P14618 1/20 0.37
ESR2 Q92731 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TTR P02766 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL6541925 0.96 MAPT (0.41) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL27499512 0.84 HPGD (0.43) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL2760999 0.79 HPGD (0.46) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL6346568 0.78 KDM4E (0.47) KMT2AMAPTKDM4ETDP1GAA
SCHEMBL7135919 0.78 KMT2A (0.48) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL8782843 0.77 GAA (0.41) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL7258349 0.76 ALDH1A1 (0.56) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL9750007 0.76 HSP90AA1 (0.51) KMT2AMAPTKDM4EGAAALDH1A1
SCHEMBL10936102 0.76 KMT2A (0.55) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL8782746 0.75 KMT2A (0.59) KMT2AMEN1MAPTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019285-B1 PROCESS FOR PREPARING ASYMMETRICAL VAT DYESTUFFS OF THE ANTHRAQUINONE SERIES AND THEIR USE IN DYEING AND PRINTING CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed
EP-0025166-A1 Process for preparing vat dyestuffs of the anthraquinone series, their use in dyeing and printing preparations and in dyeing and printing CIBA-GEIGY AG (CH) 1981-03-18 EP disclosed
EP-0019285-A1 Process for preparing asymmetrical vat dyestuffs of the anthraquinone series and their use in dyeing and printing CIBA-GEIGY AG (CH) 1980-11-26 EP disclosed