SCHEMBL29987274

SCHEMBL29987274

O=C(CS(=O)(=O)c1ccccn1)N1Cc2ccc(F)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.46
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ DPP9 Q86TI2 9/20 0.42
▸ HSP90B1 P14625 2/20 0.41
▸ TRAP1 Q12931 2/20 0.41
▸ DPP8 Q6V1X1 7/20 0.40
▸ DPP4 P27487 6/20 0.40
▸ DPP7 Q9UHL4 5/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 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
SCHEMBL24814393 1.00 NAMPT (0.46) NAMPTROCK2ROCK1DPP9HSP90B1
SCHEMBL24815720 0.89 NAMPT (0.45) NAMPTROCK2ROCK1DPP9HSP90B1
SCHEMBL29986504 0.88 ALDH1A1 (0.44) NAMPT
SCHEMBL24815671 0.88 ALDH1A1 (0.44) NAMPT
SCHEMBL24815700 0.87 ESR1 (0.40) NAMPT
SCHEMBL29986903 0.87 ESR1 (0.40) NAMPT
SCHEMBL26845914 0.86 NAMPT (0.43) NAMPTDPP9DPP8DPP7
SCHEMBL29987244 0.84 NAMPT (0.46) NAMPTROCK1
SCHEMBL24815715 0.84 NAMPT (0.46) NAMPTROCK1
SCHEMBL24814430 0.82 SMN1; SMN2 (0.55) NAMPTROCK2ROCK1DPP9HSP90B1

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