SCHEMBL11041319

SCHEMBL11041319

Nc1c(Br)cc(Cl)cc1Br.Nc1c(Br)cccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.41
HKDC1 Q2TB90 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 3/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 2/20 0.33
GSK3B P49841 1/20 0.33
CTSB P07858 1/20 0.32
ERN1 O75460 1/20 0.32
PNMT P11086 1/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1639812 0.87 GAA (0.58) GAAMAPTALDH1A1CA1CA2
SCHEMBL416374 0.82
SCHEMBL205669 0.75 GAA (0.43) GAAMAPTALDH1A1CA1CA2
SCHEMBL31050390 0.75 CA1 (0.54) GAAMAPTALDH1A1CA1CA2
SCHEMBL9501878 0.75
SCHEMBL3605101 0.75 CA1 (0.54) GAAMAPTALDH1A1CA1CA2
SCHEMBL30042309 0.75
SCHEMBL27504958 0.73 GAA (0.36) GAAMAPTALDH1A1HKDC1CA1
SCHEMBL7735182 0.71 ALDH1A1 (0.41) GAAMAPTALDH1A1CA1CA2
SCHEMBL10796712 0.71 CA1 (0.50) GAAMAPTCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040171-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE AS COLOURING AGENTS IN THE SILVER DYESTUFF BLEACHING PROCESS CIBA-GEIGY AG (CH) 1984-03-21 EP disclosed