SCHEMBL8042789

SCHEMBL8042789

Cc1csc(C(O)=CC(=O)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.58
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.37
KDR P35968 3/20 0.35
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTPN1 P18031 1/20 0.32
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL8369832 0.83 MAPT (0.54) DAOCA12CA1CA2CA9
SCHEMBL3867887 0.75 DAO (0.58) DAOCA12CA1CA2CA9
SCHEMBL6543432 0.74 DAO (0.49) DAO
SCHEMBL130041 0.74
Hydrochloric Acid SCHEMBL11533312 0.72 DAO (0.95) DAOCASP3SENP7SENP8SENP6
SCHEMBL7368425 0.72 DAO (0.71) DAOKDRCASP3SENP7SENP8
SCHEMBL5859674 0.72 DAO (0.71) DAOKDRCASP3SENP7SENP8
SCHEMBL1612962 0.70
SCHEMBL3047680 0.69 DAO (0.61) DAOKDRCASP3SENP7SENP8
SCHEMBL24579385 0.69 DAO (0.67) DAOKDRCASP3SENP7SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868420-B1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2000-03-29 EP disclosed
EP-0885889-A2 Process for the preparation of pyrazole-3-carboxylic acids SANOFI (FR) 1998-12-23 EP disclosed