SCHEMBL9846590

SCHEMBL9846590

COc1ccc2c(c1Br)C(=O)c1ccccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
NPC1 O15118 3/20 0.68
MAPT P10636 7/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
USP2 O75604 2/20 0.65
DUSP3 P51452 1/20 0.65
MAPK1 P28482 4/20 0.54
ADORA2A P29274 3/20 0.54
POLB P06746 2/20 0.54
FGB P02675 1/20 0.54
THRB P10828 1/20 0.54
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL11365014 0.92 RAB9A (0.59) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL28215169 0.81 G6PD (0.49) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL496978 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL29929605 0.79 MAPT (1.00) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL1426486 0.79 MAPT (1.00) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL9751849 0.79 RAB9A (0.68) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL6902878 0.79 RAB9A (0.68) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL31441205 0.79 MAPT (1.00) RAB9ASMN1; SMN2NPC1MAPTMEN1
1,4-Dimethoxyanthraquinone SCHEMBL3417221 0.79 MAPT (1.00) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL612831 0.78 MAPT (0.74) RAB9ASMN1; SMN2NPC1MAPTMEN1

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-0274356-B1 VATTABLE 2-ARYL-4,6-DIAMINOPYRIMIDINE CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
US-4845220-A Vattable 2-aryl-4,6-diaminopyrimidines CIBA-GEIGY CORPORATION 1989-07-04 US disclosed
EP-0274356-A1 Vattable 2-aryl-4,6-diaminopyrimidine CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed
EP-0274458-A1 Anthraquinone vat dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed
US-4420581-A ANTHRAQUINONE DYE CARBOXYLIC ACID MONOMER EASTMAN KODAK COMPANY (US) 1983-12-13 US disclosed
US-4359570-A ANTHRAQUINONE DYES EASTMAN KODAK COMPANY (US) 1982-11-16 US 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