SCHEMBL3825536

SCHEMBL3825536

O=C(c1ccc(Cl)cc1)N(Cc1csc(-c2ccncc2)n1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 2/20 0.45
GRM1 Q13255 2/20 0.43
GFER P55789 1/20 0.41
SLC2A1 P11166 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AR P10275 1/20 0.41
BCL2A1 Q16548 1/20 0.41
PDK1 Q15118 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3826994 0.83 CFTR (0.46) MAPK14MAPTGRM1KDM4ERAB9A
SCHEMBL4735431 0.80 MAPK14 (0.47) MAPK14MAPTLMNAGRM1KDM4E
SCHEMBL3061728 0.80 LMNA (0.48) MAPK14POLBMAPTLMNATP53
SCHEMBL3824769 0.79 CFTR (0.55) MAPTLMNAGRM1BCL2A1PDK1
SCHEMBL3824906 0.79 DNM1L (0.45) MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3829987 0.78 DNM1L (0.44) MAPT
SCHEMBL3826390 0.77 MAPT (0.50) POLBMAPTLMNAKDM4ERAB9A
SCHEMBL3071627 0.77 LMNA (0.46) MAPK14POLBMAPTLMNATP53
SCHEMBL4735436 0.76 MAPK14 (0.41) MAPK14POLBMAPTLMNATP53
SCHEMBL4738172 0.74 AOC3 (0.42) MAPK14LMNAGRM1

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
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed