SCHEMBL2012249

SCHEMBL2012249

CCOc1nccc(C(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.52
KDM4E B2RXH2 7/20 0.46
KDM5A P29375 2/20 0.46
KDM3A Q9Y4C1 2/20 0.46
JMJD1C Q15652 1/20 0.46
S1PR1 P21453 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM6B O15054 1/20 0.39
TET3 O43151 1/20 0.39
KDM4A O75164 1/20 0.39
BBOX1 O75936 1/20 0.39
KDM5C P41229 1/20 0.39
ASPH Q12797 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
TET2 Q6N021 1/20 0.39

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
Hydrochloric Acid SCHEMBL29852312 0.83 KDM4E (0.44) MAPK8KDM4EKDM5AKDM3AJMJD1C
SCHEMBL28194523 0.82 KDM4E (0.46) MAPK8KDM4EKDM5AKDM3AJMJD1C
SCHEMBL2015751 0.81 LMNA (0.53) KDM4EKDM5AKDM3AJMJD1CMAPT
SCHEMBL26704130 0.81 KDM4E (0.42) MAPK8KDM4EKDM5AKDM3AJMJD1C
SCHEMBL31229428 0.81 KDM4E (0.42) MAPK8KDM4EKDM5AKDM3AJMJD1C
SCHEMBL29795813 0.79 KDM4E (0.44) MAPK8KDM4EKDM5AKDM3AJMJD1C
SCHEMBL26669209 0.79 KDM4E (0.44) MAPK8KDM4EKDM5AKDM3AJMJD1C
SCHEMBL9952304 0.78 KDM4E (0.49) MAPK8KDM4EKDM5AKDM3AJMJD1C
SCHEMBL2032700 0.77 XDH (0.49) MAPK8KDM4EKDM5AKDM3AJMJD1C
SCHEMBL9565273 0.76 MAPK8 (0.47) MAPK8KDM4EMAPTTSHRALDH1A1

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
WO-2022056449-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
US-5591853-A CHEMICAL INTERMEDIATE PRODUCTS FOR PHARMACEUTICALS LONZA LTD. (CH) 1997-01-07 US disclosed
EP-0552760-A1 Microbiological process for the preparation of 2-halopyrimidine-4-carboxylic acids LONZA AG (CH) 1993-07-28 EP disclosed