SCHEMBL9846455

SCHEMBL9846455

Nc1cccc2c1C(=O)c1cc(Cl)c(Sc3ccccc3)cc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
NSD2 O96028 1/20 0.54
MAPK1 P28482 1/20 0.54
PTPRC P08575 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FGR P09769 1/20 0.40
PIM1 P11309 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
DYRK1A Q13627 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
PDE7A Q13946 3/20 0.39

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
SCHEMBL9846490 1.00 ADORA2A (0.55) ADORA2AMAPTKDM4ENSD2MAPK1
SCHEMBL8777809 0.82 ADORA2A (0.69) ADORA2AMAPTKDM4EMAPK1PTPRC
SCHEMBL11579534 0.81 MAPT (0.75) ADORA2AMAPTKDM4ENSD2MAPK1
SCHEMBL10811522 0.80 MAPT (0.68) ADORA2AMAPTKDM4ENSD2MAPK1
SCHEMBL11581942 0.80 MAPT (0.84) ADORA2AMAPTKDM4ENSD2MAPK1
SCHEMBL11214415 0.79 ADORA2A (0.56) ADORA2AMAPTKDM4ENSD2MAPK1
SCHEMBL9846537 0.79 ADORA2A (0.65) ADORA2AMAPTKDM4ENSD2MAPK1
SCHEMBL9846493 0.79 ADORA2A (0.65) ADORA2AMAPTKDM4ENSD2MAPK1
1,2-Dichlorobenzene SCHEMBL8030837 0.76 ADORA2A (0.81) ADORA2AMAPTKDM4ENSD2MAPK1
SCHEMBL11583208 0.74 KDM4E (0.55) ADORA2AMAPTKDM4ENSD2MAPK1

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