SCHEMBL14949558

SCHEMBL14949558

COCC(=O)N1CCCC(C(N)=O)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 3/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCHE P06276 1/20 0.44

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) ALDH1A1MAPK1LMNAKMT2AMEN1
SCHEMBL9949514 0.86 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL9949518 0.86 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL3402785 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1LMNAKMT2AMEN1
SCHEMBL3399181 0.82 ALDH1A1 (0.63) ALDH1A1MAPK1LMNAKMT2AMEN1
SCHEMBL3397338 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL3425272 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL67753 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL3400610 0.80 GAA (0.57) KMT2AMEN1KDM4E
SCHEMBL20698377 0.79 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1KDM4E

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
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed