SCHEMBL12516596

SCHEMBL12516596

O=C(NC1CC1)c1ccc(Cl)c(NO)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
MAPK14 Q16539 5/20 0.51
CNR2 P34972 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HPGD P15428 2/20 0.47
SMYD3 Q9H7B4 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
MAPK13 O15264 1/20 0.46

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
SCHEMBL2085543 0.81 KMT2A (0.56) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL5630057 0.79 KMT2A (0.54) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL14568525 0.79 MEN1 (0.54) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL2946787 0.79 KMT2A (0.54) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL13544509 0.78 MEN1 (0.53) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL13808926 0.78 ALDH1A1 (0.70) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL18835454 0.77 MEN1 (0.52) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL13544722 0.77 SMYD3 (0.52) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL29138050 0.77 KMT2A (0.52) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL28684619 0.76 NPC1 (0.66) MAPTMEN1KMT2AKDM4EPOLB

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-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed