SCHEMBL9047747

SCHEMBL9047747

O=c1occcc1-c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
CFTR P13569 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 2/20 0.41
MAPK10 P53779 2/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
MAPK14 Q16539 4/20 0.40
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
LMNA P02545 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
SCHEMBL812897 0.81 CTRC (0.48) RAB9ATSHRMAPTALDH1A1HSD17B10
SCHEMBL8535966 0.79 GSTP1 (0.48) SMN1; SMN2NPC1HTT
Naphthalene SCHEMBL29025700 0.76 KDM4E (0.46) PIK3R1PIK3CASMN1; SMN2NPC1RAB9A
SCHEMBL28065277 0.76 ESR2 (0.45) CFTRSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6689631 0.74 GSTP1 (0.48) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL8088273 0.73 MAOB (0.47) PIK3CAALDH1A1ADORA2AADORA1PIK3CD
SCHEMBL2398844 0.72 KEAP1 (0.44) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL4032281 0.70 NOTUM (0.63) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL30708901 0.70 NOTUM (0.63) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL12440870 0.70 NPC1 (0.59) PIK3R1PIK3CACFTRSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425654-A 2, 8-diazaspiro [4.5] decane compounds 基因泰克公司 2024-01-19 CN disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed