SCHEMBL29986546

SCHEMBL29986546

O=C(CS(=O)(=O)c1ccc(F)cc1)N1Cc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ HSD11B1 P28845 1/20 0.50
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL24817130 1.00 SMN1; SMN2 (0.52) SMN1; SMN2POLBHSD11B1NPC1RAB9A
SCHEMBL24815673 0.88 SMN1; SMN2 (0.67) SMN1; SMN2POLBHSD11B1NPC1RAB9A
SCHEMBL29986910 0.88 SMN1; SMN2 (0.67) SMN1; SMN2POLBHSD11B1NPC1RAB9A
SCHEMBL24814430 0.86 SMN1; SMN2 (0.55) SMN1; SMN2POLBHSD11B1NPC1RAB9A
SCHEMBL29986727 0.85 SMN1; SMN2 (0.49) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL24815800 0.85 SMN1; SMN2 (0.49) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL29986777 0.83 SMN1; SMN2 (0.50) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL26845915 0.83 SMN1; SMN2 (0.50) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL24814422 0.81 TAS1R3 (0.47) SMN1; SMN2POLBNPC1RAB9AL3MBTL1
SCHEMBL24816196 0.81 TAS1R3 (0.50) SMN1; SMN2POLBNPC1RAB9AL3MBTL1

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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