SCHEMBL30748201

SCHEMBL30748201

CCc1nc2cc(C)c(OC(=O)O)cc2cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL28337650 0.73 L3MBTL1 (0.39) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL4428208 0.70 NPC1 (0.67) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL23068704 0.68 SLC6A4 (0.38)
SCHEMBL30251134 0.68 SLC6A4 (0.38)
SCHEMBL28247553 0.67 PSMB5 (0.41) BCAT2MEN1KMT2ARAB9AMAPT
SCHEMBL28886717 0.65 PKM (0.44) NPSR1ALDH1A1PKM
SCHEMBL9241803 0.65 MEN1 (0.34) MEN1KMT2ANPC1RAB9AGABRP
SCHEMBL28323961 0.65 KMT2A (0.40) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL28322850 0.64 ALDH1A1 (0.44) KMT2ANPC1RAB9ANPSR1ALDH1A1
SCHEMBL22084944 0.63 NPSR1 (0.37) MEN1KMT2ANPC1RAB9ANPSR1

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-117279509-A Bactericidal composition for agricultural and horticultural use 日本曹达株式会社 2023-12-22 CN disclosed