SCHEMBL24314244

SCHEMBL24314244

CCOc1ccccc1S(=O)(=O)NC(=O)c1cc2ccc(C(C)C)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
ALPL P05186 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.40
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TSHR P16473 1/20 0.39
F2 P00734 2/20 0.39
THRB P10828 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 2/20 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
SCHEMBL22588031 0.84 GAA (0.46) GAALMNAMAPK1MEN1KMT2A
SCHEMBL22588102 0.84 GAA (0.46) GAALMNAMAPK1MEN1KMT2A
SCHEMBL22588366 0.84 ALDH1A1 (0.42) GAALMNAMAPK1ALPLMEN1
SCHEMBL22587733 0.83 GAA (0.44) GAALMNAMAPK1MEN1KMT2A
SCHEMBL22588238 0.82 GAA (0.43) GAALMNAMAPK1MEN1KMT2A
SCHEMBL24333686 0.81 GAA (0.41) GAALMNAMAPK1MEN1KMT2A
SCHEMBL31723078 0.81 ALDH1A1 (0.43) LMNAALDH1A1THRBMAPT
SCHEMBL24334306 0.81 GAA (0.42) GAALMNAMAPK1MEN1KMT2A
SCHEMBL24334232 0.81 NPC1 (0.46) GAALMNAMAPK1MEN1KMT2A
SCHEMBL24313655 0.80 BCAT1 (0.53) GAALMNAMAPK1MEN1KMT2A

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-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed