SCHEMBL29987237

SCHEMBL29987237

O=C(CS(=O)(=O)c1ccccc1)N1Cc2cccc(F)c2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ DPP8 Q6V1X1 2/20 0.46
▸ DPP9 Q86TI2 2/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ TRAP1 Q12931 4/20 0.46
▸ HSP90B1 P14625 2/20 0.46
▸ HSD11B1 P28845 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL24814455 1.00 SMN1; SMN2 (0.53) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL24815673 0.85 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL29986910 0.85 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL29986546 0.80 SMN1; SMN2 (0.52) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL24817130 0.80 SMN1; SMN2 (0.52) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL24815800 0.79 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL29986727 0.79 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL24814430 0.78 SMN1; SMN2 (0.55) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL24814392 0.78 DPP8 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9ADPP8
SCHEMBL29986896 0.78 DPP8 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9ADPP8

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-2022251343-A2 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2022-12-01 — — WO disclosed
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