SCHEMBL29986713

SCHEMBL29986713

O=C(CSc1nccs1)N1Cc2cccc(F)c2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ TRAP1 Q12931 6/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ MGAM O43451 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SI P14410 2/20 0.39
▸ MGAM2 Q2M2H8 2/20 0.39
▸ HSP90B1 P14625 3/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL24814436 1.00 DPP8 (0.42) DPP8DPP9DPP7TRAP1NAMPT
SCHEMBL24814434 0.86 ALDH1A1 (0.47) GAAKMT2AALDH1A1MEN1TAAR1
SCHEMBL29986261 0.86 ALDH1A1 (0.47) GAAKMT2AALDH1A1MEN1TAAR1
SCHEMBL24815667 0.83 ALDH1A1 (0.39) MGAMGAASIMGAM2KMT2A
SCHEMBL24815709 0.80 NAMPT (0.44) DPP8DPP9DPP7NAMPTMGAM
SCHEMBL29986538 0.77 PKM (0.55) DPP8DPP9DPP7TRAP1GAA
SCHEMBL24814711 0.77 PKM (0.55) DPP8DPP9DPP7TRAP1GAA
SCHEMBL29986896 0.77 DPP8 (0.41) DPP8DPP9DPP7TRAP1NAMPT
SCHEMBL24814392 0.77 DPP8 (0.41) DPP8DPP9DPP7TRAP1NAMPT
SCHEMBL24816166 0.76 ALDH1A1 (0.39) GAAKMT2AALDH1A1MEN1TAAR1

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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