SCHEMBL29093603

SCHEMBL29093603

CC(=O)c1ccc(C2(C#N)C=CC=CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 1/20 0.34
PGR P06401 1/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CYP11B1 P15538 2/20 0.32
HSD17B1 P14061 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL29098893 0.82 PGR (0.43) MAPTALDH1A1PGRRAB9AHPGD
SCHEMBL29084012 0.80 OPRM1 (0.38) ALDH1A1
SCHEMBL28484773 0.76 PGR (0.33) ALDH1A1PGRPOLB
SCHEMBL27794540 0.76 OPRM1 (0.32) CYP11B1
Benzene SCHEMBL28680468 0.76 OPRM1 (0.32) CYP11B1
SCHEMBL28366987 0.76 ALDH1A1 (0.41) MAPTALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL29093715 0.75 CYP11B1 (0.41) CYP11B1
SCHEMBL29084028 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL29084104 0.73 MGAT2 (0.33)
SCHEMBL17474259 0.72 OPRM1 (0.33)

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-112236464-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2024-02-23 CN disclosed
CN-112204076-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2023-10-24 CN disclosed