SCHEMBL7010174

SCHEMBL7010174

COc1nc(-c2ccc(Cl)cc2)nc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
DHPS P49366 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ATM Q13315 1/20 0.43
NR1I3 Q14994 1/20 0.40
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL375967 0.80 NPC1 (0.58) MEN1KMT2ADHPSNPC1RAB9A
SCHEMBL2118439 0.76 ALDH1A1 (0.54) MEN1KMT2ADHPSNPC1RAB9A
SCHEMBL25334937 0.73 MEN1 (0.51) MEN1KMT2ADHPSNPC1RAB9A
SCHEMBL3155930 0.72 NPC1 (0.54) MEN1KMT2ADHPSNPC1RAB9A
SCHEMBL9869365 0.71 NPC1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10912364 0.70 LMNA (0.64) MEN1KMT2ADHPSNPC1RAB9A
SCHEMBL28589605 0.69 DHPS (0.82) DHPS
SCHEMBL5258591 0.69 WHR1 (0.55) MEN1KMT2ADHPSLMNAATM
SCHEMBL17269507 0.69 NPC1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14374410 0.69 NPC1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP disclosed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed