SCHEMBL18138134

SCHEMBL18138134

C/C=C/c1cc[n+](CCCCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4A O75164 2/20 0.34
▸ KDM2A Q9Y2K7 2/20 0.34
▸ CHAT P28329 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ APAF1 O14727 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ RGS12 O14924 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL18135633 0.92 KMT2A (0.33) KMT2ASMN1; SMN2KDM4AKDM2ACHAT
SCHEMBL14454729 0.83 HTT (0.41) KMT2ASMN1; SMN2HTTMEN1APAF1
SCHEMBL21695021 0.81 KMT2A (0.38) KMT2ASMN1; SMN2HTTMEN1APAF1
Hydrochloric Acid SCHEMBL29517283 0.80 KDM4A (0.49) KMT2ASMN1; SMN2KDM4AKDM2AHTT
SCHEMBL25018193 0.79 HTT (0.40) KMT2ASMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL379163 0.75 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTALDH1A1PSMB8
SCHEMBL1870550 0.75 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTALDH1A1PSMB8
SCHEMBL6046844 0.75 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTALDH1A1PSMB8
SCHEMBL16983769 0.75 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTALDH1A1PSMB8
SCHEMBL37833 0.75 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTALDH1A1PSMB8

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-20160299078-A1 Specific Detection and Quantification of Cardiolipin and Isolated Mitochondria by Positively Charged AIE Fluorogens and Method of Manufacturing Thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-10-13 — — US disclosed
Send feedback