SCHEMBL1677809

SCHEMBL1677809

COc1ccc(-c2cc(C(=O)O)nc(C)c2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 1/20 0.53
CFTR P13569 2/20 0.52
XDH P47989 1/20 0.52
KDM4E B2RXH2 6/20 0.50
NPSR1 Q6W5P4 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
GLA P06280 2/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
PAX8 Q06710 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
SQOR Q9Y6N5 1/20 0.49
HTT P42858 2/20 0.47

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
SCHEMBL3065335 0.81 KDM4E (0.68) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL5476895 0.78 KMT2A (0.79) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL1678228 0.77 CFTR (0.52) CFTRXDHKDM4ENPSR1ALDH1A1
SCHEMBL22890548 0.73 KDM4E (0.41) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL17595320 0.73 MCL1 (0.71) ALDH1A1HPGDMAPTMCL1
SCHEMBL9779383 0.72 ALDH1A1 (0.46) ALDH1A1MAPTTDP1ADORA2AADORA1
SCHEMBL10987787 0.72 ACACA (0.66) KMT2AMEN1CFTRKDM4ENPSR1
SCHEMBL5470565 0.72 KDM4E (0.66) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL1678198 0.72 KDM4E (0.51) KMT2AMEN1XDHKDM4ENPSR1
SCHEMBL18694708 0.72 CFTR (0.62) KMT2AMEN1CFTRKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308847-B1 Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases EMC MICROCOLLECTIONS GMBH (DE) 2014-04-02 EP disclosed
EP-2308847-A1 Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases EMC microcollections GmbH (DE) 2011-04-13 EP disclosed
EP-2308847-A1 Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases EMC microcollections GmbH (DE) 2011-04-13 EP disclosed