SCHEMBL4055567

SCHEMBL4055567

COc1ccc(CCOc2cc(N3CCOCC3)cc(-c3c(N)ccc4[nH]c(C)c(C)c34)n2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 2/20 0.39
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 2/20 0.35
PDE4B Q07343 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 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
SCHEMBL425077 0.77 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2672964 0.72 CSF1R (0.42) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL3885173 0.71 PIK3CA (0.49) MEN1KMT2AALOX15RAB9APDE4B
SCHEMBL4400048 0.69 MEN1 (0.51) MEN1KMT2AALDH1A1POLBALOX15
SCHEMBL2672779 0.68 CSF1R (0.43) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL4402279 0.67 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL425849 0.66 PIKFYVE (0.54) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL4401391 0.65 MAPT (0.46) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL428092 0.65 MAPT (0.46) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL428091 0.65 MAPT (0.46) MEN1KMT2AKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687004-A4 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-04-08 EP disclosed
EP-1687004-A2 PYRIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
WO-2005046603-A2 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO disclosed