SCHEMBL24333337

SCHEMBL24333337

COc1ccc(N2CCN(C)CC2)cc1S(=O)(=O)/N=C/N(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
SIRT6 Q8N6T7 1/20 0.45
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42
HTR6 P50406 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
ERAP1 Q9NZ08 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
SCHEMBL29469799 1.00 POLB (0.47) POLBSIRT6ALDH1A1SMN1; SMN2ACHE
SCHEMBL24333332 0.78 POLB (0.53) POLBSIRT6ALDH1A1SMN1; SMN2ACHE
SCHEMBL10642047 0.77 GAA (0.54) POLBSMN1; SMN2MAPK1LMNATSHR
SCHEMBL10642042 0.77 GAA (0.54) POLBSMN1; SMN2MAPK1LMNATSHR
SCHEMBL10641829 0.76 ALDH1A1 (0.48) POLBALDH1A1SMN1; SMN2HTR6MAPK1
SCHEMBL24333691 0.76 TSHR (0.52) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL10641825 0.76 ALDH1A1 (0.48) POLBALDH1A1SMN1; SMN2HTR6MAPK1
SCHEMBL29469872 0.76 TSHR (0.52) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL10641950 0.75 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL10641953 0.75 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2LMNA

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
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed