SCHEMBL5174674

SCHEMBL5174674

CC(C)c1ccc(NC(=O)NCCc2cccs2)cc1.CSc1ccc(NC(=O)NCCc2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP12 P39900 3/20 0.46
MMP13 P45452 3/20 0.46
TAAR1 Q96RJ0 2/20 0.43

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
SCHEMBL4918739 0.92 EPHX1 (0.64) EPHX1CA12CA1CA2CA9
SCHEMBL4912495 0.92 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL5174681 0.82 ADAM17 (0.44) LMNAHTTMAPTHPGDALOX12
SCHEMBL4922221 0.79 NPC1 (0.75) CA12CA1CA2CA9LMNA
SCHEMBL4921458 0.79 NPC1 (0.67) CA12CA1CA2CA9MAPT
SCHEMBL4917108 0.77 CA12 (0.65) EPHX1CA12CA1CA2CA9
SCHEMBL4922773 0.77 CA12 (0.62) CA12CA1CA2CA9LMNA
SCHEMBL4922770 0.77 NPC1 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL4913228 0.76 CA12 (0.65) CA12CA1CA2CA9LMNA
SCHEMBL4921429 0.76 CA12 (0.71) CA12CA1CA2CA9LMNA

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-1786422-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY Prosidion Limited (GB) 2007-05-23 EP disclosed
WO-2006018662-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY PROSIDION LIMITED (GB) 2006-02-23 WO disclosed