SCHEMBL30701720

SCHEMBL30701720

CCOC(=O)c1c(N(Cc2ccccc2)C(C)=O)sc2cc(O)c(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ PRNP P04156 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSPO P30536 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24682167 1.00 KMT2A (0.45) KMT2AMEN1PRNPALDH1A1POLB
SCHEMBL24683235 0.89 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL30701665 0.89 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL29800048 0.85 LMNA (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL24683154 0.85 LMNA (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL24683204 0.77 KMT2A (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29799918 0.77 KMT2A (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL24682960 0.77 ESR1 (0.42) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL29799896 0.77 ESR1 (0.42) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL24682966 0.75 ALOX5 (0.47) NPC1RAB9AMAPTPKMALOX15

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-117222630-A 2-acetamido-6-hydroxy-benzothiophene derivatives having antiviral activity OTC制药公司(JSC) 2023-12-12 — — CN disclosed
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