SCHEMBL13622605

SCHEMBL13622605

C=C(/N=C(/C(=O)OC)C(Cl)=C(N)N)c1cccnc1OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.37
HCRTR2 O43614 12/20 0.37
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL29686939 0.74 RAB9A (0.51) HCRTR1HCRTR2
SCHEMBL4263055 0.74 RAB9A (0.51) HCRTR1HCRTR2
SCHEMBL22235655 0.72 TDP1 (0.57) HCRTR1HCRTR2MEN1KMT2APOLB
SCHEMBL17859342 0.69 HCRTR2 (0.51) HCRTR1HCRTR2POLBLMNAGPBAR1
SCHEMBL13622324 0.69 NNMT (0.33) MEN1KMT2AMAPK1
SCHEMBL28314178 0.69 HCRTR2 (0.49) HCRTR1HCRTR2POLBLMNAGPBAR1
SCHEMBL13622908 0.69 LMNA (0.41) MEN1KMT2ALMNA
SCHEMBL456915 0.68 NAPRT (0.50) HCRTR1HCRTR2MEN1KMT2ALMNA
SCHEMBL30919007 0.68 NAPRT (0.50) HCRTR1HCRTR2MEN1KMT2ALMNA
SCHEMBL19599247 0.67 HCRTR2 (0.52) HCRTR1HCRTR2MEN1KMT2APOLB

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