SCHEMBL28817526

SCHEMBL28817526

CCCC[n+]1ccccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.49
▸ KDM2A Q9Y2K7 2/20 0.49
▸ NPC1 O15118 8/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ HTT P42858 6/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ RAD52 P43351 2/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ACHE P22303 5/20 0.39

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
SCHEMBL4362312 0.82 KDM4A (0.49) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
SCHEMBL1426443 0.81 KDM4E (0.51) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL2877131 0.81 KDM4A (0.48) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8013329 0.81 KDM4A (0.48) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
Iodide SCHEMBL11381517 0.81 KDM4A (0.50) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
Methyl Alcohol SCHEMBL10936101 0.78 KDM4A (0.48) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
SCHEMBL19582692 0.76 KDM4A (0.57) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
SCHEMBL29431056 0.76 KDM4A (0.57) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
SCHEMBL19582519 0.76 KDM4A (0.57) KDM4AKDM2ANPC1RAB9ASMN1; SMN2
SCHEMBL19582767 0.76 KDM4A (0.57) KDM4AKDM2ANPC1RAB9ASMN1; SMN2

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-104529884-A Green synthetic method for preparation of N-alkyl pyridone UNIV WENZHOU 2015-04-22 — — CN disclosed
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