SCHEMBL6557960

SCHEMBL6557960

CCOOC(=O)CCc1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
UBE2N P61088 1/20 0.46
EIF4EBP1 Q13541 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL6555859 0.79 GFER (0.50) GFERMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5935688 0.79 GFER (0.49) GFERMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6555630 0.79 PPARG (0.69) ADRA1A
SCHEMBL6555846 0.78 PPARA (0.60) GFERMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6556047 0.77 PPARG (0.52) GFERMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5935599 0.77 MEN1 (0.57) GFERMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6073251 0.76 CYP1A2 (0.46) GFERMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7753447 0.76 TSHR (0.48) GFERMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5807356 0.76 TSHR (0.48) GFERMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6555781 0.76 PPARG (0.54) GFERMEN1KMT2ASMN1; SMN2MAPT

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
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP disclosed