SCHEMBL8519386

SCHEMBL8519386

Cc1nc2ccccn2c(=O)c1I

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ENPP2 Q13822 1/20 0.52
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.51
GLA P06280 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 4/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 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
SCHEMBL11357473 0.82 KMT2A (0.56) KMT2AENPP2KDM4EALDH1A1GAA
SCHEMBL14039272 0.79 KMT2A (0.57) KMT2AENPP2KDM4EALDH1A1GAA
SCHEMBL2820859 0.79 KMT2A (0.53) KMT2AENPP2KDM4EALDH1A1GAA
SCHEMBL30402668 0.79 KDM4E (0.51) ENPP2KDM4EALDH1A1GAAGLA
SCHEMBL23742484 0.79 FLT3 (0.44) KDM4EALDH1A1NPC1
SCHEMBL7965109 0.78 KMT2A (0.54) KMT2AKDM4EALDH1A1GAAGLA
SCHEMBL6501337 0.77 ENPP2 (0.64) KMT2AENPP2KDM4EALDH1A1GAA
SCHEMBL3155115 0.76 KDM4E (0.47) ENPP2KDM4EALDH1A1GAAGLA
SCHEMBL3155202 0.76 KDM4E (0.47) KMT2AENPP2KDM4EALDH1A1GAA
SCHEMBL23414621 0.76 HSD17B10 (0.53) ENPP2KDM4EALDH1A1GAAGLA

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
EP-0547708-B1 Saccharin derivative proteolytic enzyme inhibitors SANOFI SYNTHELABO (FR) 2003-02-26 EP disclosed