SCHEMBL4786765

SCHEMBL4786765

O=C(c1cccnc1)N(Cc1csc(Br)n1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 1/20 0.42
POLB P06746 1/20 0.41
GRM1 Q13255 2/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 2/20 0.39
CXCR2 P25025 2/20 0.39
MEN1 O00255 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4735431 0.86 MAPK14 (0.47) MAPK14GRM1KDM4ECXCR2MAPT
SCHEMBL4735528 0.85 HTT (0.50) GAATSHRHTTMAPK1MAPK14
SCHEMBL4734186 0.82 GRM1 (0.45) GAATSHRHTTMAPK1MAPK14
SCHEMBL4735442 0.81 AR (0.43) GAATSHRHTTMAPK1POLB
SCHEMBL4737103 0.81 GAA (0.43) GAATSHRHTTMAPK1MAPK14
SCHEMBL4737675 0.80 GAA (0.42) GAATSHRHTTMAPK1MAPK14
SCHEMBL4738932 0.79 GAA (0.41) GAATSHRHTTMAPK1MAPK14
SCHEMBL4738953 0.78 GAA (0.40) GAATSHRHTTMAPK1POLB
SCHEMBL3071349 0.78 LMNA (0.38) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL4739012 0.77 GAA (0.40) GAATSHRHTTMAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed