SCHEMBL8745735

SCHEMBL8745735

NC(=O)Oc1cc(Cl)cc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.47
GRK6 P43250 1/20 0.43
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCL1 Q07820 3/20 0.41
BCL2 P10415 2/20 0.41
S100A4 P26447 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PKLR P30613 3/20 0.40
PGAM1 P18669 3/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 2/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 2/20 0.40
PTPN1 P18031 2/20 0.40
ABCC4 O15439 1/20 0.40

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
SCHEMBL11107372 0.81 KEAP1 (0.53) TTRGRK6MEN1MAPTKMT2A
SCHEMBL9316584 0.78 KEAP1 (0.57) TTRGRK6MEN1MAPTKMT2A
SCHEMBL8745733 0.75 ADORA2A (0.60) TTRGRK6MEN1MAPTKMT2A
SCHEMBL8777916 0.75 ADORA2A (0.63) GRK6MEN1MAPTKMT2APOLB
SCHEMBL11432640 0.75 S100A4 (0.43) TTRMEN1MAPTKMT2APOLB
SCHEMBL11432637 0.72 TTR (0.71) TTRMEN1MAPTKMT2APOLB
SCHEMBL11247721 0.72 TTR (0.41) TTRMEN1MAPTKMT2AMCL1
SCHEMBL10782111 0.72 MCL1 (0.70) TTRMEN1MAPTKMT2APOLB
SCHEMBL6905214 0.71 TTR (0.64) TTRMEN1MAPTKMT2APOLB
SCHEMBL26187355 0.70 ELANE (0.69) TTRMEN1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576996-B1 Method of preparation of 7,16-dichloro-dianthraquinone-N,N'-dihydroazine BASF AG (DE) 1997-02-12 EP disclosed
EP-0576996-A1 Method of preparation of 7,16-dichloro-dianthraquinone-N,N'-dihydroazine BASF Aktiengesellschaft (DE) 1994-01-05 EP disclosed