SCHEMBL8053532

SCHEMBL8053532

CCOC(=O)CCN(CC)c1ccc(/N=N/c2c(Cl)cc(S(=O)(=O)F)c(Cl)c2Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 2/20 0.34
MAPT P10636 3/20 0.33
PSMD14 O00487 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
THRB P10828 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8053537 1.00 CA12 (0.34) CA12CA2CA9CA1MAPT
SCHEMBL8046207 0.86 MAPT (0.32) MAPTPSMD14NPC1MITFRAB9A
SCHEMBL8046210 0.86 MAPT (0.32) MAPTPSMD14NPC1MITFRAB9A
SCHEMBL8045149 0.86 KMT2A (0.39) MAPTPSMD14NPC1MITFRAB9A
SCHEMBL8045147 0.86 KMT2A (0.39) MAPTPSMD14NPC1MITFRAB9A
SCHEMBL8050513 0.81 KMT2A (0.34) MAPTPSMD14NPC1MITFRAB9A
SCHEMBL8091987 0.80 L3MBTL1 (0.33) KMT2AKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8035876 0.80 L3MBTL1 (0.33) KMT2AKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL17122412 0.71 MAPT (0.32) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL15694942 0.71 POLB (0.32) MAPTNPC1RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048370-A Monoazo dyes containing a fluorosulphonyl group and use thereof BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US claimed
EP-0888405-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEROF BASF AG (DE) 2000-04-26 EP disclosed
US-6048370-A Monoazo dyes containing a fluorosulphonyl group and use thereof BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
EP-0888405-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEROF BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997029155-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEROF BASF AKTIENGESELLSCHAFT (DE) 1997-08-14 WO disclosed