SCHEMBL29986479

SCHEMBL29986479

O=C(N1Cc2ccc(F)cc2C1)C(F)(F)Sc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.46
▸ DPP9 Q86TI2 5/20 0.42
▸ DPP4 P27487 5/20 0.42
▸ DPP8 Q6V1X1 4/20 0.42
▸ DPP7 Q9UHL4 3/20 0.42
▸ HSP90B1 P14625 2/20 0.41
▸ TRAP1 Q12931 2/20 0.41
▸ ROCK2 O75116 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL24814439 1.00 NAMPT (0.46) NAMPTDPP9DPP4DPP8DPP7
SCHEMBL29987597 0.78 HSD17B10 (0.54) NAMPTROCK2NPC1ALDH1A1HPGD
SCHEMBL24814730 0.78 HSD17B10 (0.54) NAMPTROCK2NPC1ALDH1A1HPGD
SCHEMBL29986739 0.77 NAMPT (0.44) NAMPTDPP9DPP4DPP8DPP7
SCHEMBL24814397 0.77 NAMPT (0.44) NAMPTDPP9DPP4DPP8DPP7
SCHEMBL24814438 0.76 ALDH1A1 (0.50) NAMPTDPP9HSP90B1TRAP1ROCK2
SCHEMBL29987272 0.76 ALDH1A1 (0.50) NAMPTDPP9HSP90B1TRAP1ROCK2
SCHEMBL24814735 0.72 DPP9 (0.55) DPP9DPP4DPP8DPP7HSP90B1
SCHEMBL29986254 0.72 DPP9 (0.55) DPP9DPP4DPP8DPP7HSP90B1
SCHEMBL24814388 0.71 ALDH1A1 (0.44) NAMPTNPC1ALDH1A1HPGDRAB9A

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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