SCHEMBL22556729

SCHEMBL22556729

CCc1nc(N)nc(SCc2ncc(-c3cc(Cl)ccc3Cl)o2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 2/20 0.35
HTT P42858 3/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
STAT1 P42224 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
AGPAT2 O15120 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
S1PR4 O95977 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL29393818 1.00 HSP90AA1 (0.37) HSP90AA1HTR2BPDE4DHPGDALDH1A1
SCHEMBL22556715 0.90 HTR2B (0.37) HSP90AA1HTR2BPDE4DHPGDALDH1A1
SCHEMBL29391010 0.90 HTR2B (0.37) HSP90AA1HTR2BPDE4DHPGDALDH1A1
SCHEMBL27218737 0.88 HSP90AA1 (0.41) HSP90AA1HPGDALDH1A1SMN1; SMN2USP2
SCHEMBL22556783 0.88 HSP90AA1 (0.40) HSP90AA1HTR2BPDE4DHPGDALDH1A1
SCHEMBL29391453 0.88 HSP90AA1 (0.40) HSP90AA1HTR2BPDE4DHPGDALDH1A1
SCHEMBL22570656 0.85 KMT2A (0.44) HSP90AA1HTR2BPDE4DHPGDALDH1A1
SCHEMBL29512259 0.84 ALDH1A1 (0.43) HSP90AA1HPGDALDH1A1SMN1; SMN2USP2
SCHEMBL22570662 0.84 ALDH1A1 (0.43) HSP90AA1HPGDALDH1A1SMN1; SMN2USP2
SCHEMBL27218739 0.84 RAB9A (0.36) HSP90AA1HPGDALDH1A1SMN1; SMN2USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed
WO-2022083853-A1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR GBIOTECH S.À.R.L. (CH) 2022-04-28 WO disclosed
EP-3956323-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Gbiotech S.À.R.L. (CH) 2022-02-23 EP disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 WO disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 WO disclosed