SCHEMBL7947543

SCHEMBL7947543

COc1ccc(-c2noc(-c3ccccc3OCCN3CCOCC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
MAPT P10636 8/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KDM4E B2RXH2 5/20 0.51
HAVCR2 Q8TDQ0 1/20 0.51
HSD17B10 Q99714 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7947674 0.90 SMN1; SMN2 (0.53) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL5733357 0.90 KDM4E (0.63) PTPN1LMNANPC1RAB9AKDM4E
SCHEMBL7957043 0.84 USP2 (0.64) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL15028195 0.82 TTR (0.60) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5734066 0.81 MAPT (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL7957021 0.81 KDM4E (0.58) PTPN1LMNATP53SMN1; SMN2NPC1
SCHEMBL7962009 0.80 KDM4E (0.60) PTPN1LMNATP53SMN1; SMN2NPC1
SCHEMBL7961594 0.79 MAPT (0.59) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL3742473 0.78 KMO (0.51) PTPN1MAPTTP53SMN1; SMN2NPC1
SCHEMBL15028365 0.77 USP2 (0.54) MAPTLMNATP53SMN1; SMN2NPC1

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-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed