SCHEMBL2488931

SCHEMBL2488931

O=C(O)Oc1ccc2ncccc2c1SSc1c(OC(=O)O)ccc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 2/20 0.44
ERN1 O75460 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
BLM P54132 2/20 0.37
HTT P42858 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.36
IDE P14735 1/20 0.36
RAB9A P51151 1/20 0.36
FABP5 Q01469 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL10965704 0.81 MEN1 (0.54) KDM4EMAPTERN1CYP3A4ALOX12
SCHEMBL2308927 0.78 FABP5 (0.53) KDM4EMAPTERN1MEN1KMT2A
SCHEMBL598413 0.76 KDM4E (0.49) KDM4EMAPTERN1CYP3A4TDP1
SCHEMBL6958597 0.75 NCOA1 (0.47) KDM4EMAPTERN1ALOX12TDP1
SCHEMBL2309532 0.72 CYP1A2 (0.45) LMNAFABP5NSD2SMN1; SMN2
SCHEMBL11465521 0.71 MEN1 (0.53) KDM4EMAPTERN1CYP3A4MEN1
Oxalic Acid SCHEMBL1649530 0.70 KDM4E (0.73) KDM4EMAPTERN1CYP3A4TDP1
SCHEMBL6955977 0.69 KDM4E (0.59) KDM4EMAPTALOX12TDP1MEN1
SCHEMBL6962761 0.68 KDM4E (0.46) KDM4EMAPTCYP3A4ALOX12TDP1
SCHEMBL6976134 0.68 KDM4E (0.48) KDM4EMAPTCYP3A4ALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379687-B1 WATER-BASED HYDRAULIC FLUIDS COMPRISING DITHIO-DI(ARYL CARBOLIC ACIDS) CLARIANT FINANCE BVI LTD (VG) 2013-04-24 EP disclosed
EP-2379687-A1 WATER-BASED HYDRAULIC FLUIDS COMPRISING DITHIO-DI(ARYL CARBOLIC ACIDS) Clariant Finance (BVI) Limited (VG) 2011-10-26 EP disclosed
WO-2010069464-A1 WATER-BASED HYDRAULIC FLUIDS COMPRISING DITHIO-DI(ARYL CARBOLIC ACIDS) CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 WO disclosed