SCHEMBL4458442

SCHEMBL4458442

Cc1cccc(N2CN(S(=O)(=O)c3ccc(CC(N)=O)cc3)c3nc4ccccc4nc32)c1.NC(=O)Cc1ccc(S(=O)(=O)N2CN(c3ccccc3)c3nc4ccccc4nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
KDM4E B2RXH2 12/20 0.44
ALDH1A1 P00352 10/20 0.44
MAPT P10636 9/20 0.44
NPSR1 Q6W5P4 5/20 0.44
MEN1 O00255 4/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 4/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PABPC1 P11940 1/20 0.41

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
SCHEMBL188566 0.86 KMT2A (0.66) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL15095973 0.81 KMT2A (0.64) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL189834 0.80 KMT2A (0.52) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL15095988 0.78 KMT2A (0.76) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL189805 0.76 KMT2A (0.84) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL250848 0.74 MAPT (0.53) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL189314 0.73 KMT2A (0.60) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL189003 0.72 KMT2A (0.64) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL189589 0.71 KMT2A (1.00) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL189587 0.69 KMT2A (0.56) KMT2AKDM4EALDH1A1MAPTNPSR1

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed