SCHEMBL3721066

SCHEMBL3721066

Oc1ccc(Oc2cnccn2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 1/20 0.47
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMO O15229 1/20 0.38
GCK P35557 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5C P41229 1/20 0.37

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
SCHEMBL12483808 0.77 KMT2A (0.52) KDM4EKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL28901141 0.76 KMT2A (0.52) KDM4EKMT2ASMN1; SMN2RAB9AGAA
SCHEMBL5317075 0.76 KDM4E (0.62) KDM4EKMT2AHRH3LTA4HPTGS2
SCHEMBL5687538 0.76 KDM4E (0.50) KDM4EKMT2AHRH3LTA4HPTGS2
SCHEMBL5208559 0.76 KMT2A (0.45) KDM4EKMT2AHRH3LTA4HPTGS2
SCHEMBL258619 0.75 HSP90AA1 (0.57) KMT2AALDH1A1KMOTHRATHRB
SCHEMBL11352994 0.74 GAA (0.49) KDM4EKMT2AHRH3LTA4HPTGS2
SCHEMBL13505713 0.73 LTA4H (0.46) KDM4EKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL11411966 0.71 THRB (0.58) KMT2ARAB9AMAPK1MAPTTHRB
SCHEMBL9445013 0.70 HSP90AA1 (0.68) KMT2ASLC6A2SLC6A4SLC6A3HAO1

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed