SCHEMBL6556908

SCHEMBL6556908

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
STAT1 P42224 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TOP2A P11388 1/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL11248352 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL6557153 0.83 TOP2A (0.52) RAB9AALDH1A1KDM4ETOP2AL3MBTL1
SCHEMBL2778627 0.76 KMT2A (0.50) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL30357748 0.76 KMT2A (0.50) NPC1RAB9AMAPTALDH1A1LMNA
Alcohol SCHEMBL29004585 0.75 TOP2A (0.52) RAB9ATOP2ACYP1A2L3MBTL1
SCHEMBL11249360 0.75 MAPT (0.57) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL6200113 0.75 CCR6 (0.54) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL11666684 0.75 ALDH1A1 (0.64) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL9814048 0.74 KMT2A (0.51) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL10517750 0.74 MAPT (0.50) SMN1; SMN2NPC1RAB9AMAPTNFKB1

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