SCHEMBL6821909

SCHEMBL6821909

COC(=O)c1cc(Oc2c(Br)cc(N)cc2Br)cc(C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 5/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3914754 0.84 USP2 (0.44) USP2CA1CA2CA12CA7
SCHEMBL111187 0.78 CA12 (0.58) USP2CA1CA2CA12CA7
SCHEMBL5000622 0.77 USP2 (0.60) USP2CA1CA2CA12CA7
Hydrochloric Acid SCHEMBL111186 0.77 CA12 (0.56) USP2CA1CA2CA12CA7
SCHEMBL654773 0.74 CA1 (0.58) USP2CA1CA2CA12CA7
SCHEMBL414382 0.74 CA1 (0.52) USP2CA1CA2CA12CA7
SCHEMBL176618 0.74 NOTUM (0.57) USP2CA1CA2CA12CA7
SCHEMBL22959310 0.74 MAPT (0.46) USP2CA1CA2CA12CA7
SCHEMBL10078186 0.73 USP2 (0.56) USP2CA1CA2CA12CA7
SCHEMBL10895053 0.73 USP2 (0.53) USP2CA1CA2CA12CA7

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
US-20040195552-A1 useful as powders or pellets for incorporation into a variety of thermoplastic resins; diacidic anthraquinone compounds WEAVER MAX ALLEN (US) 2004-10-07 US disclosed
US-6197223-B1 REACTING DIACIDIC MONOMER HAVING FORMULA H--A--H, COMPRISING 1 TO 100 MOLE % OF LIGHT-ABSORBING MONOMER HAVING A LIGHT ABSORPTION MAXIMUM BETWEEN 300 NM AND 1200 NM AND 99-0 MOLE % OF A NON-LIGHT ABSORBING MONOMER WITH ORGANIC COMPOUND EASTMAN CHEMICAL COMPANY 2001-03-06 US disclosed