SCHEMBL29136532

SCHEMBL29136532

Cc1ccc(-c2cccc(C)c2)cc1.N=C=O.N=C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
PGR P06401 1/20 0.45
ENPP3 O14638 1/20 0.45
PTPN5 P54829 2/20 0.42
AR P10275 1/20 0.42
FYN P06241 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ACHE P22303 1/20 0.42
DHODH Q02127 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL30636070 1.00 HSD17B1 (0.45) HSD17B1HSD17B2PGRENPP3PTPN5
SCHEMBL29401977 0.92 ACHE (0.50) HSD17B1HSD17B2PGRENPP3PTPN5
SCHEMBL28745195 0.92 ACHE (0.50) HSD17B1HSD17B2PGRENPP3PTPN5
SCHEMBL8062082 0.92 ACHE (0.50) HSD17B1HSD17B2PGRENPP3PTPN5
SCHEMBL160150 0.92 ACHE (0.50) HSD17B1HSD17B2PGRENPP3PTPN5
SCHEMBL8847177 0.90 NPC1 (0.47) HSD17B1HSD17B2PGRENPP3PTPN5
Methane SCHEMBL29103903 0.90 ACHE (0.48) HSD17B1HSD17B2PGRENPP3PTPN5
SCHEMBL23003863 0.87 ACHE (0.55) HSD17B1HSD17B2PGRENPP3PTPN5
SCHEMBL5545442 0.87 ACHE (0.55) HSD17B1HSD17B2PGRENPP3PTPN5
SCHEMBL29929976 0.87 ACHE (0.55) HSD17B1HSD17B2PGRENPP3PTPN5

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
CN-117362565-A High-refractive-index optical resin material, and preparation method and application thereof 益丰新材料股份有限公司 2024-01-09 CN disclosed