SCHEMBL2428253

SCHEMBL2428253

O=C(OC1CCCCC1)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.46
MMP12 P39900 2/20 0.46
MMP2 P08253 1/20 0.46
MMP1 P03956 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
CYP19A1 P11511 4/20 0.41
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
STS P08842 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL22904365 1.00 MMP9 (0.46) MMP9MMP12MMP2MMP1ALDH1A1
SCHEMBL2421717 0.98 MMP9 (0.43) MMP9MMP12MMP2MMP1ALDH1A1
SCHEMBL28413511 0.81 HTT (0.40) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31229951 0.77 NPC1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2425813 0.75 JAK3 (0.47) ALDH1A1MAPTSMN1; SMN2NPSR1NPC1
SCHEMBL5317101 0.73
SCHEMBL2418976 0.73 JAK3 (0.44) ALDH1A1LMNASMN1; SMN2NPSR1NPC1
SCHEMBL179869 0.72 NPC1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14335035 0.72 GLA (0.52) NPC1RAB9A
SCHEMBL3682800 0.71 SMN1; SMN2 (0.56) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed