SCHEMBL29987245

SCHEMBL29987245

O=C(CS(=O)(=O)c1ncccc1F)N1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NAMPT P43490 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36

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
SCHEMBL24816165 1.00 ALDH1A1 (0.42) ALDH1A1LMNATSHRMAPK1NAMPT
SCHEMBL24815672 0.81 ALDH1A1 (0.46) ALDH1A1LMNATSHRMAPK1NAMPT
SCHEMBL29987155 0.81 ALDH1A1 (0.46) ALDH1A1LMNATSHRMAPK1NAMPT
SCHEMBL29986907 0.80 GAA (0.47) ALDH1A1LMNATSHRMAPK1NAMPT
SCHEMBL24814425 0.80 GAA (0.47) ALDH1A1LMNATSHRMAPK1NAMPT
SCHEMBL24815896 0.79 GRM1 (0.37) TSHRMAPK1POLBSMN1; SMN2
SCHEMBL29986504 0.79 ALDH1A1 (0.44) ALDH1A1LMNANAMPTKDM4EHPGD
SCHEMBL24815671 0.79 ALDH1A1 (0.44) ALDH1A1LMNANAMPTKDM4EHPGD
SCHEMBL24815703 0.74 NAMPT (0.43) ALDH1A1LMNATSHRMAPK1NAMPT
SCHEMBL29986911 0.74 NAMPT (0.43) ALDH1A1LMNATSHRMAPK1NAMPT

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
Send feedback