Imidazole

Imidazole

SCHEMBL9736916

COc1ccc(CCC(C)=O)cc1.c1c[nH]cn1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
F2RL1 P55085 1/20 0.50
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
FFAR1 O14842 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL1334 0.82 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL2468017 0.82 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AKDM4ELMNA
Carbon Monoxide SCHEMBL6905879 0.78 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AKDM4ELMNA
Carbon Monoxide SCHEMBL6904137 0.78 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AKDM4ELMNA
Benzylacetone SCHEMBL28928562 0.76 ALDH1A1 (0.72) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL11138135 0.75 MAPT (0.62) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL24799818 0.73 F2RL1 (0.72) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL1105476 0.73 ALOX5 (0.68) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL29209947 0.71 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL22283502 0.71 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4ELMNA

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
US-5135955-A Anticoagulants or antifungal activity ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed