SCHEMBL3400610

SCHEMBL3400610

COCC(=O)N1CCC(C(N)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
CHRM1 P11229 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL14949553 0.90 GAA (0.50) GAAPKMSMN1; SMN2KDM4EMAPT
SCHEMBL2607037 0.84 POLB (0.54) GAASMN1; SMN2KMT2APOLB
SCHEMBL12436958 0.84 POLB (0.44) SMN1; SMN2MAPTKMT2APOLB
SCHEMBL3861156 0.83 GAA (0.54) GAAPKMSMN1; SMN2CHRM1TDP1
SCHEMBL584259 0.81 GNAI3 (0.51) PKMMAPTKMT2APOLBTSHR
SCHEMBL3401952 0.81 GAA (0.55) GAAPKMSMN1; SMN2KDM4EMAPT
SCHEMBL14949558 0.80 ALDH1A1 (0.55) KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL27080580 0.80 GNAI3 (0.54) PKMMAPTKMT2APOLBTSHR
SCHEMBL12396072 0.79 GAA (0.62) GAAPKMSMN1; SMN2CHRM1TDP1
SCHEMBL7706487 0.79 ALDH1A1 (0.60) GAAKDM4EMAPTMEN1KMT2A

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 5 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
WO-2013155223-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 WO disclosed
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