SCHEMBL2828650

SCHEMBL2828650

CCCc1ccc2nc(C(=O)OCC)c(S)n2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
MAPT P10636 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ELANE P08246 3/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
TARBP2 Q15633 4/20 0.37
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL2066946 0.81 PDE4A (0.43) PDE4AMAPTPTGS1PTGS2HSD17B10
SCHEMBL2068560 0.81 PDE4A (0.43) PDE4AMAPTPTGS1PTGS2HSD17B10
SCHEMBL2067013 0.72 KDM4E (0.61) NPC1RAB9AALDH1A1CYP1A2
SCHEMBL6615852 0.69 PDE4A (0.50) PDE4AMAPTPTGS1PTGS2HSD17B10
SCHEMBL27197675 0.68 PDE4A (0.49) PDE4AMAPTPTGS1PTGS2HSD17B10
SCHEMBL2067923 0.68 PDE10A (0.33) PDE10A
SCHEMBL24066285 0.66 PDE4A (0.47) PDE4AMAPTPTGS1PTGS2HSD17B10
SCHEMBL28790784 0.65 PDE4A (0.59) PDE4AMAPTPTGS1PTGS2HSD17B10
SCHEMBL2410980 0.64 HSP90AA1 (0.47) MAPTHSD17B10TARBP2NPC1RAB9A
SCHEMBL2066413 0.63 PDE10A (0.38) HSD17B10PDE10A

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-1932846-B1 METHOD FOR PRODUCING SULFONYL CHLORIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2010-10-27 EP disclosed
EP-1932846-A1 METHOD FOR PRODUCING SULFONYL CHLORIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-06-18 EP disclosed