SCHEMBL11089313

SCHEMBL11089313

NC(=O)c1cn2c(nc1=O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL11180957 0.94 ALDH1A1 (0.39) WDR5TP53HPGDHSD17B10ALDH1A1
SCHEMBL11097275 0.85 WDR5 (0.46) WDR5TP53HPGDHSD17B10ALDH1A1
SCHEMBL11093896 0.83 WDR5 (0.42) WDR5TP53HPGDHSD17B10ALDH1A1
SCHEMBL11193638 0.79 ALDH1A1 (0.41) WDR5TP53HPGDHSD17B10ALDH1A1
SCHEMBL11088975 0.76 HPGD (0.57) WDR5TP53HPGDHSD17B10ALDH1A1
SCHEMBL4090031 0.75 HDAC1 (0.50) WDR5TP53HPGDHSD17B10ALDH1A1
SCHEMBL11087009 0.73 WDR5 (0.47) WDR5TP53HPGDHSD17B10ALDH1A1
SCHEMBL11182694 0.71 HSD17B10 (0.52) TP53HPGDHSD17B10ALDH1A1NPC1
SCHEMBL2325818 0.70 WDR5 (0.49) WDR5TP53HPGDHSD17B10ALDH1A1
SCHEMBL14701710 0.69 WDR5 (0.50) WDR5TP53HPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482557-A 3-Substituted-2-oxo-tetrahydro-pyrrol[1,2-a]pyrimidines having digitalis-like activity CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-11-13 US disclosed
US-4367229-A 3-Substituted-tetrahydro-pyrrolo[1,2-a]pyrimidines and pharmaceutical compositions CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-01-04 US disclosed