SCHEMBL5599737

SCHEMBL5599737

CCc1cnc(-c2cnc(N3CCC(C(=O)OC)CC3)c(Cl)c2NC)o1.CCc1cnc(-c2cnc(N3CCC(C(=O)OC)CC3)c(Cl)c2S(C)(=O)=O)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NSD2 O96028 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NEK2 P51955 1/20 0.32
TP53 P04637 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
KCNMA1 Q12791 1/20 0.31
OPRK1 P41145 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4098314 0.94 KDM4E (0.38) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4103251 0.93 KDM4E (0.39) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4097530 0.84 ELANE (0.39) P2RY12KDM4ESMN1; SMN2LMNAHSD17B10
SCHEMBL4114821 0.81 LMNA (0.41) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4105130 0.81 NEK2 (0.42) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4097566 0.81 KDM4E (0.41) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4105089 0.80 KDM4E (0.39) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5448530 0.80 KDM4E (0.41) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL27718480 0.79 KDM4E (0.38) P2RY12KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4098910 0.78 KDM4E (0.37) P2RY12KDM4ESMN1; SMN2MEN1KMT2A

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-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed