SCHEMBL6563940

SCHEMBL6563940

CCOc1ccc2nc(-c3ccc(-c4nc5ccc(OCC)cc5c(=O)o4)cc3)oc(=O)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.74
MAPT P10636 7/20 0.74
TP53 P04637 6/20 0.74
ALDH1A1 P00352 5/20 0.74
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
KDM4E B2RXH2 5/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
CTSG P08311 1/20 0.50
KLK7 P49862 1/20 0.50
KLK14 Q9P0G3 1/20 0.50
KLK5 Q9Y337 1/20 0.50
C1R P00736 1/20 0.49
ELANE P08246 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
SCHEMBL6563922 0.95 ALDH1A1 (0.67) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL914228 0.85 ALDH1A1 (1.00) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL2537004 0.84 MAPT (0.72) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL17254726 0.83 MAPT (0.53) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL6565958 0.80 POLB (0.70) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL6566018 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL5376370 0.80 NPC1 (0.73) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL6563993 0.79 MAPT (0.65) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL5381075 0.78 TP53 (0.65) SMN1; SMN2MAPTTP53ALDH1A1RAB9A
SCHEMBL692832 0.78 ELANE (0.64) SMN1; SMN2MAPTTP53ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993965-B1 Thermally sensitive recording medium JUJO PAPER CO LTD (JP) 2004-03-31 EP disclosed
US-6440897-B1 BIS-BENZOXAZINONE COMPOUND AS AN ULTRAVIOLET RAY ABSORBING AGENT NIPPON PAPER INDUSTRIES CO LTD (JP) 2002-08-27 US disclosed
EP-0993965-A2 Thermally sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2000-04-19 EP disclosed