SCHEMBL6922748

SCHEMBL6922748

O=C1c2ccccc2C(=O)N1OCc1ccc(Cl)nc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
MAPT P10636 3/20 0.66
GAA P10253 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 5/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL29818694 0.82 MEN1 (0.57) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL13140583 0.80 MEN1 (0.55) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL9694491 0.80 MEN1 (1.00) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL1598728 0.79 ALDH1A1 (0.42) KMT2AMEN1MAPTPOLBATM
SCHEMBL770153 0.77 CASP3 (0.54) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL10914237 0.76 MEN1 (0.76) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL6918907 0.76 KMT2A (0.56) KMT2AMEN1MAPTGAAATM
SCHEMBL29367470 0.76 KMT2A (0.74) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL6524461 0.76 KMT2A (0.74) KMT2AMEN1MAPTGAAL3MBTL1
SCHEMBL10912874 0.75 MEN1 (0.73) KMT2AMEN1MAPTGAAL3MBTL1

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