SCHEMBL9846468

SCHEMBL9846468

Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
MMP14 P50281 1/20 0.85
HDAC2 Q92769 8/20 0.57
HDAC1 Q13547 7/20 0.57
HDAC3 O15379 2/20 0.57
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.51
CCR6 P51684 1/20 0.51
BLM P54132 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
FGR P09769 1/20 0.50
PIM1 P11309 1/20 0.50
MAOA P21397 1/20 0.50
ADORA2A P29274 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50

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
SCHEMBL6141826 0.92 MEN1 (1.00) MEN1KMT2AMMP14HDAC2HDAC1
SCHEMBL13343570 0.88 MEN1 (0.64) MEN1KMT2AMMP14HDAC2HDAC1
SCHEMBL9846531 0.87 MEN1 (0.80) MEN1KMT2AMMP14HDAC1CYP1A2
SCHEMBL4305458 0.85 MEN1 (0.76) MEN1KMT2AMMP14HDAC2HDAC1
SCHEMBL6142357 0.84 MEN1 (0.85) MEN1KMT2AMMP14HDAC2HDAC1
SCHEMBL9846535 0.84 MEN1 (0.60) MEN1KMT2AMMP14HDAC1CYP1A2
SCHEMBL11139967 0.84 MEN1 (0.74) MEN1KMT2AMMP14HDAC2HDAC1
SCHEMBL30544874 0.83 MEN1 (0.82) MEN1KMT2AMMP14HDAC2HDAC1
SCHEMBL6419867 0.83 MEN1 (0.82) MEN1KMT2AMMP14HDAC2HDAC1
SCHEMBL11134539 0.82 MAOA (0.60) MEN1KMT2AMMP14CYP1A2TSHR

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 8 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-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