SCHEMBL426673

SCHEMBL426673

CN(C)c1cccc(C(=NN)c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 4/20 0.40
EPHX2 P34913 1/20 0.40
RECQL P46063 1/20 0.39
HTR2B P41595 1/20 0.38
DDR2 Q16832 1/20 0.36
PIK3CA P42336 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL425814 0.86 SIGMAR1 (0.40) SIGMAR1HTR2BDDR2HTR1AHTR1D
SCHEMBL425404 0.86 KMO (0.45) SIGMAR1DDR2L3MBTL1KDM4EMEN1
SCHEMBL430389 0.86 DDR2 (0.42) SIGMAR1HTR2BDDR2L3MBTL1KDM4E
SCHEMBL430391 0.86 DDR2 (0.42) SIGMAR1HTR2BDDR2L3MBTL1KDM4E
SCHEMBL425402 0.86 KMO (0.45) SIGMAR1DDR2L3MBTL1KDM4EMEN1
SCHEMBL425820 0.86 MRGPRX4 (0.47) MAPTSMN1; SMN2SIGMAR1DDR2L3MBTL1
SCHEMBL425347 0.85 DDR2 (0.42) SMN1; SMN2SIGMAR1DDR2HTR1AL3MBTL1
SCHEMBL425345 0.85 DDR2 (0.42) SMN1; SMN2SIGMAR1DDR2HTR1AL3MBTL1
SCHEMBL425298 0.84 L3MBTL1 (0.48) MAPTHTTSMN1; SMN2SIGMAR1PIK3CA
SCHEMBL425301 0.84 CASR (0.42) SIGMAR1DDR2L3MBTL1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687004-A4 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-04-08 EP claimed
JP-2007510747-A 2007-04-26 JP claimed
EP-1687004-A2 PYRIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
WO-2005046603-A2 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed