SCHEMBL7928510

SCHEMBL7928510

CCOC(=O)CN(C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
MMP1 P03956 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HTT P42858 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADRB2 P07550 1/20 0.44
HPGD P15428 1/20 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
SCHEMBL7673729 0.81 ALDH1A1 (0.56) LMNAKDM4EHSD17B10ALDH1A1GAA
SCHEMBL6501728 0.80 KMT2A (0.59) LMNAALDH1A1GAAALOX15MAPK1
SCHEMBL2332913 0.79 ADRB2 (0.65) ALDH1A1GAAALOX15TSHRTDP1
SCHEMBL6500736 0.79 KMT2A (0.56) KDM4EALDH1A1GAASMN1; SMN2ALOX15
SCHEMBL11482764 0.78 KMT2A (0.53) LMNAALDH1A1GAASMN1; SMN2ALOX15
SCHEMBL7924869 0.78 SMN1; SMN2 (0.60) LMNAKDM4EHSD17B10MMP9MMP13
SCHEMBL26247562 0.75 MAPT (0.61) LMNAKDM4EALDH1A1GAAALOX15
SCHEMBL7928511 0.74 MMP1 (0.51) LMNAMMP9MMP13MMP1ALDH1A1
SCHEMBL7360052 0.72 SMN1; SMN2 (0.47) LMNAKDM4EHSD17B10MMP9MMP13
SCHEMBL7193091 0.71 ALDH1A1 (0.43) LMNAKDM4EHSD17B10ALDH1A1GAA

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
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed