SCHEMBL6815919

SCHEMBL6815919

CN1CCN(c2cccc3c(=O)cc(C(=O)O)oc23)C(F)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 18/20 0.46
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CSNK2A2 P19784 1/20 0.40
PTGS1 P23219 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
GPR55 Q9Y2T6 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL4994772 0.81 GPR35 (0.52) GPR35KDM4EUSP2CSNK2A2PTGS1
Hydrochloric Acid SCHEMBL4995357 0.80 GPR35 (0.51) GPR35KDM4EUSP2CSNK2A2PTGS1
SCHEMBL10915405 0.71 GPR35 (0.61) GPR35KDM4EUSP2CSNK2A2PTGS1
SCHEMBL4988326 0.69 HTR1B (0.57) GPR35ATM
Hydrochloric Acid SCHEMBL4988384 0.68 HTR1B (0.56) GPR35ATM
SCHEMBL7223526 0.68 GPR35 (0.63) GPR35KDM4EUSP2CSNK2A2PTGS1
SCHEMBL4996207 0.68 ATM (0.45) GPR35KDM4EUSP2CSNK2A2PTGS1
SCHEMBL4990839 0.68 ATM (0.57) GPR35KDM4EUSP2ATM
Hydrochloric Acid SCHEMBL4985151 0.67 ATM (0.56) GPR35KDM4EUSP2ATM
SCHEMBL4985772 0.67 GPR35 (0.50) GPR35ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004007487-A1 CRYSTALLINE FORMS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed