SCHEMBL3401936

SCHEMBL3401936

NC(=O)C1CCC(NC(=O)CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MME P08473 1/20 0.39
SELL P14151 2/20 0.38
SELP P16109 2/20 0.38
SELE P16581 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.37
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2093857 0.85
SCHEMBL3402820 0.84 SMN1; SMN2 (0.46) TSHRKDM4EKMT2ASMN1; SMN2MME
SCHEMBL12436696 0.80 KMT2A (0.40) KMT2ASMN1; SMN2SELLSELPSELE
SCHEMBL12513739 0.80 KMT2A (0.40) KMT2ASMN1; SMN2SELLSELPSELE
SCHEMBL30388545 0.79 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2MMELMNA
SCHEMBL473560 0.79 SMYD3 (0.50) KMT2ASMN1; SMN2LMNAHPGDEPHX1
SCHEMBL473561 0.79 SMYD3 (0.50) KMT2ASMN1; SMN2LMNAHPGDEPHX1
SCHEMBL19502831 0.78 TSHR (0.41) TSHRKDM4EKMT2ASMN1; SMN2MME
SCHEMBL3401676 0.78 NPSR1 (0.64) TSHRKDM4EKMT2ASMN1; SMN2MME
Hydrochloric Acid SCHEMBL13275803 0.78 SMYD3 (0.49) KMT2ASMN1; SMN2LMNAHPGDEPHX1

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