SCHEMBL5314874

SCHEMBL5314874

N#Cc1ccc(CNC(=O)CN2CC3CN(CC(=O)NCc4ccc(C#N)cc4)CC(C2)O3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
EPHX2 P34913 1/20 0.42
ROCK2 O75116 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41
HTR1A P08908 5/20 0.41

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
SCHEMBL5314851 0.95 POLB (0.53) POLBHPGDKMT2AHTTUSP2
SCHEMBL5316192 0.95 HTT (0.52) POLBHPGDKMT2AHTTUSP2
SCHEMBL5316551 0.93 POLB (0.48) POLBHPGDKMT2AHTTUSP2
SCHEMBL5319733 0.93 POLB (0.48) POLBHPGDKMT2AHTTUSP2
SCHEMBL5318143 0.93 POLB (0.50) POLBHPGDKMT2AHTTUSP2
SCHEMBL5318355 0.91 POLB (0.60) POLBHPGDKMT2ATSHRALDH1A1
SCHEMBL5318125 0.91 POLB (0.49) POLBHPGDKMT2AHTTUSP2
SCHEMBL5315856 0.91 POLB (0.49) POLBHPGDKMT2AHTTUSP2
SCHEMBL5314736 0.90 KMT2A (0.50) POLBKMT2ASMN1; SMN2HTR1ADRD2
SCHEMBL5314521 0.90 POLB (0.46) POLBHPGDKMT2AHTTUSP2

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed