SCHEMBL4005646

SCHEMBL4005646

NCc1cccnc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
ALDH1A1 P00352 1/20 0.35
PNMT P11086 2/20 0.34
ADRB2 P07550 1/20 0.34
KMT2A Q03164 2/20 0.33
TKT P29401 1/20 0.33
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERN1 O75460 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
IDO1 P14902 1/20 0.33
RAB9A P51151 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
SCHEMBL6115316 0.82 TRIM24 (0.39) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL18250821 0.80 TRIM24 (0.38) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL8309858 0.80 TRIM24 (0.42) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL3823757 0.80 TRIM24 (0.38) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL3296819 0.80 KDM4E (0.42) TRIM24TRIM33KDM4ECYP1A2MAPT
Benzene SCHEMBL11824212 0.78 TRIM24 (0.37) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL4229224 0.77 HTT (0.45) TRIM24TRIM33KDM4EMAPTALDH1A1
SCHEMBL2085063 0.77 GABRA1 (0.42) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL18995128 0.77 TKT (0.37) TRIM24TRIM33KDM4ECYP1A2MAPT
SCHEMBL11552786 0.77 MET (0.46) ALDH1A1SMN1; SMN2NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997661-B Cyclopropyl ureaplatin 2 receptor and formyl peptide 1 receptor agonists 百时美施贵宝公司 2023-03-31 CN disclosed
CN-104066718-B Substituted benzene compounds EPIZYME股份有限公司 2017-08-29 CN disclosed
EP-2041093-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008000729-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed
US-4414417-A Process for the catalytic reduction of unsaturated ketones MONTEDISON, S.P.A. (IT) 1983-11-08 US disclosed