SCHEMBL3397338

SCHEMBL3397338

COCC(=O)N1CCC[C@@H](N)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.42
PAX8 Q06710 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
BTK Q06187 1/20 0.38
KDM1A O60341 2/20 0.38
NAMPT P43490 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL67753 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL3425272 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL2686951 0.90 GNAI3 (0.41) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL3425809 0.90 GNAI3 (0.41) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL3428769 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL3398142 0.82 ALDH1A1 (0.38) ALDH1A1KMT2APAX8MAPT
SCHEMBL13010 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL12922 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL20698377 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL20698378 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP claimed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed