SCHEMBL6921729

SCHEMBL6921729

Cc1cccc(CON2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
VDR P11473 1/20 0.38

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
SCHEMBL7747822 0.85 GAA (0.51) MEN1KMT2AMAPTGAAATM
SCHEMBL13477405 0.82 MEN1 (0.48) MEN1KMT2AMAPTGAAATM
SCHEMBL13140601 0.82 MEN1 (0.52) MEN1KMT2AMAPTGAAATM
SCHEMBL1557163 0.82 MEN1 (0.48) MEN1KMT2AMAPTGAAATM
SCHEMBL13140550 0.79 MEN1 (0.46) MEN1KMT2AMAPTGAAATM
SCHEMBL13140535 0.78 MRGPRX4 (0.47) MEN1KMT2AMAPTGAAATM
SCHEMBL13140631 0.77 ALDH1A1 (0.43) MEN1KMT2AMAPTGAAATM
SCHEMBL1072206 0.76 ALDH1A1 (0.58) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL2219482 0.76 ALDH1A1 (0.58) MEN1KMT2AMAPTGAAATM
SCHEMBL5558132 0.76 PDE10A (0.50) MEN1KMT2AMAPTGAAALDH1A1

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-2004099185-A1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed