SCHEMBL30852977

SCHEMBL30852977

COC(=O)c1cc2sc3ccccc3c(=O)c2cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 6/20 0.52
KDM4E B2RXH2 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.47
HCRTR1 O43613 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 4/20 0.46
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NFKB1 P19838 1/20 0.45

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
SCHEMBL27302544 0.86 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL12520420 0.82 MAPT (0.60) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL490194 0.82 MAPT (0.52) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL29279646 0.80 NPC1 (0.51) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL30612336 0.79 KDM4E (0.59) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL8527804 0.79 KDM4E (0.59) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL28543803 0.77 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL52314 0.76 MAPT (0.52) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL14943815 0.76 LMNA (0.50) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL29494120 0.76 MAPT (0.52) ALDH1A1MAPTKDM4EL3MBTL1NPC1

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-117795020-A Active energy ray-curable ink, ink set, and image recording method 富士胶片株式会社 2024-03-29 CN disclosed