SCHEMBL31040282

SCHEMBL31040282

[2H]C([2H])([2H])Oc1cc(CC#N)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
BCHE P06276 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL31040288 1.00 MEN1 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL30028244 0.92 MEN1 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL30028270 0.90 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6355596 0.90 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1465482 0.87 SLC2A1 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1464842 0.85 MAPK1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6035149 0.83 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31040308 0.82 NPC1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31040310 0.80 KDM4E (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4750249 0.80 PTGER4 (0.53) MEN1KMT2ANPC1RAB9AMAPT

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-115260185-B Deuterated derivative of corydaline and stephanine and preparation method thereof 杨征 2024-09-24 CN disclosed