SCHEMBL7000169

SCHEMBL7000169

CC(CO)c1nc(-c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EDNRA P25101 1/20 0.40
CTNNB1 P35222 1/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
DHODH Q02127 1/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL3520408 0.84 LMNA (0.42) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7002519 0.84 TRPV1 (0.44) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL6995783 0.79 ALOX5 (0.50) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3525053 0.77 ALDH1A1 (0.50) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3521465 0.76 CHRNA7 (0.46) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3524599 0.76 MAOA (0.44) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7002151 0.75 CHRNA7 (0.45) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3526291 0.74 CTNNB1 (0.43) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3522576 0.74 MAP2K4 (0.49) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3522236 0.74 LMNA (0.40) ALOX5ALDH1A1NPC1LMNARAB9A

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-1066039-A4 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS INC (US) 2003-02-26 EP disclosed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP disclosed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO disclosed