SCHEMBL6557153

SCHEMBL6557153

O=C(O)c1cnc2c(ccc3c(-c4ccccc4)ccnc32)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.52
HNF4A P41235 1/20 0.43
KDM4E B2RXH2 3/20 0.42
KDM4A O75164 3/20 0.42
EGLN1 Q9GZT9 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
PTPN1 P18031 2/20 0.41
KDM4C Q9H3R0 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM6B O15054 1/20 0.39
KDM6A O15550 1/20 0.39
TET3 O43151 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4D Q6B0I6 1/20 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
SCHEMBL6556908 0.83 SMN1; SMN2 (0.49) TOP2AKDM4EL3MBTL1RAB9AALDH1A1
Bicarbonate SCHEMBL28398978 0.80 TOP2A (0.56) TOP2AKDM4EKDM4AEGLN1L3MBTL1
SCHEMBL13225925 0.80 ALDH1A1 (0.63) KDM4EKDM4AEGLN1L3MBTL1KDM4C
SCHEMBL28859500 0.78 IKBKB (0.53) TOP2AL3MBTL1ALDH1A1IKBKBCHUK
Benzene SCHEMBL28095234 0.78 IKBKB (0.53) TOP2AL3MBTL1ALDH1A1IKBKBCHUK
SCHEMBL28868 0.78 IKBKB (0.53) TOP2AL3MBTL1ALDH1A1IKBKBCHUK
SCHEMBL12743070 0.78 TOP2A (0.51) TOP2AKDM4ERAB9AALDH1A1LDHA
Bicarbonate SCHEMBL28440964 0.77 TOP2A (0.53) TOP2AIKBKBCHUKDAPK3JAK2
Hydrochloric Acid SCHEMBL8685286 0.77 IKBKB (0.52) TOP2AL3MBTL1ALDH1A1IKBKBCHUK
Hydrochloric Acid SCHEMBL1238416 0.77 IKBKB (0.52) TOP2AL3MBTL1ALDH1A1IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423691-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
US-6664111-B2 The detector is a solid polymeric matrix, e.g., siloxane, modified by a luminescent platinum group metal phenanthroline chelate complex which is quenchable by oxygen; blood and tissue samples; medical diagnosis; compact; lightweight 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030099574-A1 Fluorescence based oxygen sensor systems 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
WO-2003019179-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-06 WO disclosed