SCHEMBL28498691

SCHEMBL28498691

COc1cc(NC(=O)C2CCC(Nc3cccc(OCCOC4CCCCC4)c3[N+](=O)[O-])CC2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.46
▸ GRM4 Q14833 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35

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
SCHEMBL30870537 1.00 POLB (0.46) POLBGRM4SMN1; SMN2KMT2ANPC1
SCHEMBL30870613 0.87 POLB (0.40) POLBGRM4KMT2AMAPTAPOBEC3G
SCHEMBL28502104 0.87 POLB (0.40) POLBGRM4KMT2AMAPTAPOBEC3G
SCHEMBL30870543 0.87 POLB (0.40) POLBGRM4KMT2AMEN1MAPT
SCHEMBL28508892 0.87 POLB (0.40) POLBGRM4KMT2AMEN1MAPT
SCHEMBL28507962 0.86 POLB (0.39) POLBGRM4KMT2AMEN1MAPT
SCHEMBL30870585 0.86 POLB (0.39) POLBGRM4KMT2AMEN1MAPT
SCHEMBL28506837 0.85 ADRB2 (0.37) POLBSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL30870626 0.82 POLB (0.45) POLBGRM4SMN1; SMN2KMT2ANPC1
SCHEMBL28502106 0.82 POLB (0.45) POLBGRM4SMN1; SMN2KMT2ANPC1

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-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 — — CN disclosed
CN-112074511-A Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2020-12-11 — — CN disclosed
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