SCHEMBL9846479

SCHEMBL9846479

Nc1cc(Cl)c2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.58
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP3A4 P08684 3/20 0.55
MAPK1 P28482 3/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
ADORA2A P29274 3/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 5/20 0.51
MAPT P10636 3/20 0.51
PTPRC P08575 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48

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
SCHEMBL6905214 0.82 TTR (0.64) TTRCYP1A1CYP1A2TDP1ADORA2A
SCHEMBL8773163 0.81 ADORA2A (0.62) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL29494860 0.81 ADORA2A (0.62) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
Anthraquinone SCHEMBL28831184 0.80 ALDH1A1 (0.68) TTRCYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL11222115 0.78 TTR (0.58) TTRCYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10898023 0.78 MCL1 (0.68) TTRCYP1A1ALDH1A1SMN1; SMN2TDP1
SCHEMBL28164455 0.77 ALDH1A1 (0.65) TTRCYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10903041 0.76 MEN1 (0.61) TTRCYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL28865949 0.76 MEN1 (0.57) TTRCYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL582033 0.76 CYP1A1 (0.72) TTRCYP1A1CYP1A2ALDH1A1SMN1; SMN2

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 10 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-4386206-A Tertiary amides as solvents in anthrapyridone syntheses DYNAPOL (US) 1983-05-31 US 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