SCHEMBL29469899

SCHEMBL29469899

CC(C)Oc1ccc(Br)cc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
GLA P06280 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 3/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
GAA P10253 2/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
ALOX15 P16050 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL19692866 0.83 SMN1; SMN2 (0.44) SMN1; SMN2TSHRGLAALDH1A1POLB
SCHEMBL29469796 0.81 CA1 (0.47) SMN1; SMN2TSHRALDH1A1POLBMAPT
SCHEMBL29469841 0.81 CA1 (0.47) SMN1; SMN2TSHRALDH1A1POLBMAPT
SCHEMBL1137871 0.81 SMN1; SMN2 (0.59) SMN1; SMN2TSHRGLAALDH1A1LMNA
Methane SCHEMBL25341724 0.79 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGLAALDH1A1LMNA
Hydrochloric Acid SCHEMBL27865616 0.79 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGLAALDH1A1LMNA
SCHEMBL22588315 0.79 CA1 (0.53) SMN1; SMN2ALDH1A1POLBHTTPKM
SCHEMBL27381455 0.77 CA2 (0.41) SMN1; SMN2TSHRGLAALDH1A1LMNA
SCHEMBL22588191 0.77 ALDH1A1 (0.62) SMN1; SMN2TSHRGLAALDH1A1POLB
SCHEMBL9259271 0.76 MAPK1 (0.58) SMN1; SMN2TSHRALDH1A1POLBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed