SCHEMBL13622361

SCHEMBL13622361

C=C(/N=C(/C(=O)OC)C(Cl)=C(N)N)c1ncc2ccccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 9/20 0.39
MAPT P10636 6/20 0.39
HPGD P15428 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
DHODH Q02127 1/20 0.34
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 1/20 0.32
SSTR4 P31391 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL13622324 0.71 NNMT (0.33) KDM4EMEN1KMT2AL3MBTL1ABL1
SCHEMBL31447720 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL13622908 0.69 LMNA (0.41) KDM4EMAPTHPGDRAB9AMEN1
SCHEMBL20455586 0.68 KDM4E (0.47) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL13622603 0.67 TUBB4A (0.44) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL13622605 0.67 HCRTR1 (0.37) MEN1KMT2AMAPK1
SCHEMBL13256628 0.67 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13622389 0.66 SMN1; SMN2 (0.37) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL13622393 0.66 GSK3B (0.39) HPGD
SCHEMBL1204348 0.65 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDRAB9A

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-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed