SCHEMBL4737075

SCHEMBL4737075

O=C(c1ccsc1)N(Cc1ccc(Br)nc1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
PDK1 Q15118 9/20 0.38
LMNA P02545 1/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CXCR2 P25025 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
BCL2A1 Q16548 1/20 0.36

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
SCHEMBL4733659 0.83 CACNA1H (0.41) MAPK14PDK1PDK2PDK3PDK4
SCHEMBL4735834 0.81 MAPK14 (0.46) MAPK14PDK1LMNAPDK2PDK3
SCHEMBL4737955 0.81 OPRM1 (0.43) MAPK14PDK1
SCHEMBL4734783 0.80 OPRM1 (0.40) MAPK14LMNA
SCHEMBL4786222 0.78 KDM4E (0.49) MAPK14
SCHEMBL4734903 0.78 KDM4E (0.41) MAPK14LMNA
SCHEMBL4733765 0.78 CNR2 (0.36) MAPK14PDK1PDK2PDK3PDK4
SCHEMBL4734158 0.78 DRD4 (0.43) MAPK14LMNA
SCHEMBL4736796 0.76 OPRM1 (0.49)
SCHEMBL4738192 0.75 HRH3 (0.42) MAPK14

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