SCHEMBL7260652

SCHEMBL7260652

N#Cc1ccc(Cc2ncc(CNc3ccc(-c4ccc(C(=O)N5CCSCC5)o4)cc3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
BRS3 P32247 1/20 0.38
DPP4 P27487 6/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPKAPK2 P49137 4/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP3A4 P08684 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
SCHEMBL7259705 0.92 NPC1 (0.41) UTS2RBRS3SCN10ASCN5ASCN2A
SCHEMBL6601124 0.80 CCNC (0.39) BRS3DPP4CCNCCDK8DPP8
SCHEMBL7258832 0.79 MAPKAPK2 (0.41) UTS2RKCNH2MAPKAPK2PDE4B
SCHEMBL7259726 0.78 MKNK1 (0.40) BRS3
SCHEMBL7255082 0.78 FNTA (0.49)
SCHEMBL7260727 0.78 BRS3 (0.42) UTS2RBRS3NPC1RAB9A
SCHEMBL7255190 0.76 FNTA (0.49)
SCHEMBL6602264 0.74 CCNC (0.41) BRS3DPP4CCNCCDK8DPP8
SCHEMBL6983035 0.73 MAPT (0.43)
SCHEMBL7461594 0.72 BRS3 (0.48) BRS3

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-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed