SCHEMBL7924869

SCHEMBL7924869

CN(CCO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
NAMPT P43490 1/20 0.55
LMNA P02545 6/20 0.50
HTT P42858 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MMP9 P14780 3/20 0.49
MMP13 P45452 3/20 0.49
SLC6A4 P31645 1/20 0.47
NEK1 Q96PY6 1/20 0.47
MMP1 P03956 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
AURKB Q96GD4 1/20 0.46
AURKAIP1 Q9NWT8 1/20 0.46

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
SCHEMBL7360052 0.85 SMN1; SMN2 (0.47) SMN1; SMN2NAMPTLMNAHTTALDH1A1
SCHEMBL7928510 0.78 LMNA (0.50) SMN1; SMN2LMNAHTTALDH1A1MMP9
SCHEMBL7200356 0.75 KMT2A (0.55) SMN1; SMN2NAMPTLMNAHTTALDH1A1
SCHEMBL11576737 0.73 CA12 (0.59) SMN1; SMN2NAMPTLMNAHTTALDH1A1
SCHEMBL19264967 0.73 SIGMAR1 (0.57) SMN1; SMN2NAMPTALDH1A1MMP9MMP13
SCHEMBL2414975 0.73 SIGMAR1 (0.57) SMN1; SMN2NAMPTLMNAALDH1A1NEK1
SCHEMBL5722103 0.73 KMT2A (0.53) NAMPTLMNAALDH1A1NEK1KMT2A
SCHEMBL10282720 0.72 KMT2A (0.52) SMN1; SMN2NAMPTLMNAALDH1A1SLC6A4
SCHEMBL13188184 0.72 NAPRT (0.50) NAMPTALDH1A1NEK1KMT2AKDM4E
SCHEMBL20388961 0.71 NAMPT (1.00) NAMPT

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