SCHEMBL7086451

SCHEMBL7086451

CC(C)OC(=O)N(c1ccccc1)S(=O)(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.37
ESR1 P03372 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GAA P10253 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL7085482 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNATP53TSHR
SCHEMBL9423197 0.82 ESR1 (0.44) ALDH1A1SMN1; SMN2LMNATP53TSHR
SCHEMBL7088355 0.80 NPC1 (0.42) ALDH1A1ESR1CHRM2CHRM1CHRM3
SCHEMBL9452030 0.80 ATM (0.39) ALDH1A1SMN1; SMN2LMNATP53TSHR
SCHEMBL7080931 0.80 NPC1 (0.44) ALDH1A1ESR1CHRM2CHRM1CHRM3
SCHEMBL7085729 0.80 POLB (0.41) ALDH1A1SMN1; SMN2LMNAKMT2AHPGD
SCHEMBL29025475 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNATP53TSHR
SCHEMBL9452039 0.75
SCHEMBL7081222 0.75 LMNA (0.43) LMNAKMT2A
SCHEMBL3507290 0.74 LMNA (0.58) ALDH1A1SMN1; SMN2LMNATSHRPDCD1

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-0592439-B1 AMINOSULFONYL CARBAMATES WARNER LAMBERT CO (US) 2003-07-30 EP claimed