SCHEMBL9846493

SCHEMBL9846493

Nc1cccc2c1C(=O)c1cc(Sc3ccccc3)ccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.65
MCL1 Q07820 6/20 0.61
BCL2 P10415 4/20 0.61
PTPRC P08575 1/20 0.51
MAPK1 P28482 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 1/20 0.50
NSD2 O96028 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAOA P21397 3/20 0.49
MAOB P27338 2/20 0.49
CSNK1A1 P48729 2/20 0.47
CSNK1D P48730 2/20 0.47
CSNK1G1 Q9HCP0 2/20 0.47
FGR P09769 1/20 0.47
PIM1 P11309 1/20 0.47
DYRK1A Q13627 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47

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
SCHEMBL9846537 1.00 ADORA2A (0.65) ADORA2AMCL1BCL2PTPRCMAPK1
SCHEMBL1038715 0.86 BCL2 (0.80) ADORA2AMCL1BCL2MAPK1MAPT
SCHEMBL11214415 0.82 ADORA2A (0.56) ADORA2AMCL1BCL2PTPRCMAPK1
SCHEMBL12957364 0.82 BCL2 (0.69) ADORA2AMCL1BCL2PTPRCMAPK1
SCHEMBL8777744 0.82 ADORA2A (0.64) ADORA2AMCL1BCL2PTPRCMAPK1
SCHEMBL9925983 0.81 BCL2 (0.77) ADORA2AMCL1BCL2MAPK1MAPT
SCHEMBL26348 0.80 ADORA2A (1.00) ADORA2AMCL1BCL2PTPRCMAPK1
Anthraquinone SCHEMBL11781807 0.80 ADORA2A (1.00) ADORA2AMCL1BCL2PTPRCMAPK1
SCHEMBL1557667 0.80 ADORA2A (1.00) ADORA2AMCL1BCL2PTPRCMAPK1
SCHEMBL29701006 0.80 ADORA2A (1.00) ADORA2AMCL1BCL2PTPRCMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432095-A1 Anthraquino vat dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
EP-0274458-B1 ANTHRAQUINONE VAT DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-09-19 EP disclosed
EP-0274458-A1 Anthraquinone vat dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed
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
US-4329456-A ACYLATION WITHOUT INTERMEDIATE ISOLATION CIBA-GEIGY AG (CH) 1982-05-11 US disclosed
US-4284770-A DEHALOGENATION, HYDRAZINE COMPOUND CIBA-GEIGY CORPORATION (US) 1981-08-18 US 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
US-3972881-A VAT, CELLULOSE CIBA-GEIGY CORPORATION (US) 1976-08-03 US disclosed
US-3935208-A NATURAL OR REGENERATED CELLULOSE ALTERMATT HANS 1976-01-27 US disclosed