SCHEMBL11038499

SCHEMBL11038499

COS(=O)(=O)[O-].CO[n+]1cccc2cccc(O)c21

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
RAD52 P43351 1/20 0.34
KDM4E B2RXH2 4/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL11832481 0.84 KDM4E (0.46) RAD52KDM4EKMT2APOLBTDP2
SCHEMBL11528687 0.75 KDM4E (0.40) RAD52KDM4EKMT2APOLBMAPT
SCHEMBL11840003 0.70 LMNA (0.36) KDM4EKMT2AMAPTTHRBCA12
SCHEMBL3757121 0.69 PSMD14 (0.33) RAD52KDM4ELMNAALDH1A1HPGD
Trifluoromethanesulfonic Acid SCHEMBL23356561 0.69 KDM4E (0.46) KDM4EKMT2APOLBTDP2NSD2
Sulfuric Acid SCHEMBL9438664 0.68 KDM4E (0.42) KDM4EKMT2APOLBTDP2NSD2
SCHEMBL9442761 0.68 RAD52 (0.40) RAD52KDM4EKMT2APOLBMAPT
SCHEMBL9785942 0.67 TDP1 (0.44) RAD52KDM4EKMT2APOLBTDP2
SCHEMBL11076568 0.67 POLB (0.44) KDM4EKMT2APOLBTDP2NSD2
SCHEMBL20386893 0.66 ACHE (0.32) KDM4EKMT2APOLBTDP2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125276-A1 NEW CHELATE FORMING BISQUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-21 EP disclosed
EP-0124577-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-14 EP disclosed
WO-1984001947-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 WO disclosed
WO-1984001946-A1 NEW CHELATE FORMING BISQUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 WO disclosed