SCHEMBL10488138

SCHEMBL10488138

Nc1cccc2c1C(=O)c1c(O)ccc(N)c1C2=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
TDP1 Q9NUW8 4/20 0.77
HPGD P15428 3/20 0.77
POLB P06746 3/20 0.77
CSNK1A1 P48729 2/20 0.77
CSNK1D P48730 2/20 0.77
CSNK1G1 Q9HCP0 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
MCL1 Q07820 2/20 0.77
PABPC1 P11940 1/20 0.77
BLM P54132 1/20 0.77
PLEC Q15149 1/20 0.77
CSNK2A2 P19784 3/20 0.71
CSNK2B P67870 3/20 0.71
CSNK2A1 P68400 3/20 0.71
CSNK2A3 Q8NEV1 3/20 0.71
ADORA2A P29274 3/20 0.61
MAOA P21397 6/20 0.57
MAPT P10636 5/20 0.57

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
SCHEMBL5595592 1.00 MEN1 (0.77) MEN1KMT2ATDP1HPGDPOLB
SCHEMBL29441199 0.96 MEN1 (0.70) MEN1KMT2ATDP1HPGDPOLB
SCHEMBL8519860 0.96 MEN1 (0.70) MEN1KMT2ATDP1HPGDPOLB
Hydrochloric Acid SCHEMBL5400530 0.95 MEN1 (0.68) MEN1KMT2ATDP1HPGDPOLB
SCHEMBL10987397 0.93 MEN1 (0.77) MEN1KMT2ATDP1HPGDPOLB
SCHEMBL3177072 0.89 ADORA2A (0.76) MEN1KMT2ATDP1HPGDPOLB
SCHEMBL30278765 0.87 MEN1 (1.00) MEN1KMT2ATDP1HPGDPOLB
SCHEMBL29363523 0.87 MEN1 (1.00) MEN1KMT2ATDP1HPGDPOLB
SCHEMBL109854 0.87 MEN1 (1.00) MEN1KMT2ATDP1HPGDPOLB
SCHEMBL8777770 0.87 MAOA (0.76) MEN1KMT2ATDP1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863634-A LIQUID CRYSTALS BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4424160-A Process for the preparation of 1-hydroxy-4-amino-5(8)-nitroanthraquinone BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
EP-0075173-A2 Anthraquinone dyes BAYER AG (DE) 1983-03-30 EP disclosed
EP-0069910-A1 Process for the preparation of 1-hydroxy-4-amino-5(8)-nitro-anthraquinone BAYER AG (DE) 1983-01-19 EP disclosed
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 US disclosed
US-3939113-A ANTHRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1976-02-17 US disclosed