SCHEMBL9375321

SCHEMBL9375321

CC(=O)Nc1ccc(CCc2ccc(CN(C)C)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
LSS P48449 1/20 0.42

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
SCHEMBL29622963 0.78 AOC3 (0.67) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL29622962 0.78 AOC3 (0.67) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL9381422 0.74 ACHE (0.51) ACHEBCHESMYD3
SCHEMBL3572749 0.73 HRH3 (0.63) AOC3HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL9375806 0.72 SMN1; SMN2 (0.59) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL10961901 0.72 PTPN1 (0.70) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL1902060 0.71 SMN1; SMN2 (0.59) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11116153 0.71 SMN1; SMN2 (0.59) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL7211903 0.70 AOC3 (0.61) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL8681807 0.70 SMN1; SMN2 (0.57) AOC3MEN1KMT2ASMN1; SMN2POLB

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
EP-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed