SCHEMBL22556767

SCHEMBL22556767

ClCc1ncc(-c2cccc3ccccc23)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 3/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 2/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 4/20 0.39
TERT O14746 1/20 0.38
NOTUM Q6P988 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP1A2 P05177 2/20 0.37
ALOX15 P16050 2/20 0.37

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
SCHEMBL29391438 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL16515711 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6308574 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4340233 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL22556750 0.76 NPC1 (0.40) KDM4EHPGDGAARAB9ATP53
SCHEMBL29808117 0.76 NPC1 (0.40) KDM4EHPGDGAARAB9ATP53
SCHEMBL12914309 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4335507 0.73 ALDH1A1 (0.64) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL30987395 0.73 ALDH1A1 (0.64) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4160149 0.73 NOTUM (0.68) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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