SCHEMBL11023123

SCHEMBL11023123

COC(=O)Oc1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 3/20 0.55
THRB P10828 2/20 0.55
MAPK1 P28482 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MCL1 Q07820 2/20 0.55
USP2 O75604 2/20 0.55
GRK6 P43250 1/20 0.55
PKM P14618 1/20 0.55
ADORA2A P29274 4/20 0.50
POLB P06746 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
FGB P02675 1/20 0.50
PPARG P37231 1/20 0.50
RAB9A P51151 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 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
SCHEMBL11345777 0.85 MEN1 (0.61) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL460432 0.83 MAPT (0.66) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL8777904 0.82 ADORA2A (0.60) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL6834609 0.78 MAPT (0.68) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL10604623 0.78 ADORA2A (0.52) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL10710651 0.77 MEN1 (0.38) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL28341314 0.77 ELANE (0.57) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL13352362 0.77 MEN1 (0.54) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL10815326 0.76 ADORA2A (0.49) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL92415 0.75 ADORA2A (0.66) MEN1KMT2AMAPTKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022209-B1 FLUOR-TRIAZINE DYESTUFFS AND THEIR USE IN DYEING CELLULOSIC FIBROUS MATERIALS BAYER AG (DE) 1985-04-17 EP disclosed
EP-0019728-B1 UTILISATION OF REACTIVE DYESTUFFS IN DYEING AND PRINTING BLENDED FABRICS POLYESTER/COTTON BAYER AG (DE) 1983-01-12 EP disclosed
EP-0022209-A2 Fluor-triazine dyestuffs and their use in dyeing cellulosic fibrous materials BAYER AG (DE) 1981-01-14 EP disclosed