SCHEMBL7002519

SCHEMBL7002519

CC(C)c1nc(-c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 3/20 0.41
MAP2K4 P45985 3/20 0.41
MAPKAPK2 P49137 2/20 0.41
MAPKAPK3 Q16644 2/20 0.41
MAPK6 Q16659 2/20 0.41

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 0.87 LMNA (0.42) TRPV1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7000169 0.84 ALOX5 (0.43) TRPV1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6994904 0.81 CTSL (0.41) TRPV1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL3525053 0.80 ALDH1A1 (0.50) TRPV1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL3524599 0.79 MAOA (0.44) TRPV1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL3522576 0.77 MAP2K4 (0.49) SMN1; SMN2ALDH1A1LMNAKDM4ENPC1
SCHEMBL3522236 0.76 LMNA (0.40) TRPV1ALDH1A1LMNANPC1RAB9A
SCHEMBL3520143 0.76 CLK4 (0.49) SMN1; SMN2ALDH1A1LMNAKDM4ENPC1
SCHEMBL3521465 0.76 CHRNA7 (0.46) SMN1; SMN2ALDH1A1LMNAKDM4ENPC1
SCHEMBL3527472 0.76 LMNA (0.48) SMN1; SMN2ALDH1A1LMNAKDM4ENPC1

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