SCHEMBL7214463

SCHEMBL7214463

CCOC(=O)C(Cl)c1c(F)cc([N+](=O)[O-])cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
MAPT P10636 11/20 0.41
ALDH1A1 P00352 8/20 0.41
LMNA P02545 5/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.39
AKR1B1 P15121 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14744412 0.85 NPC1 (0.47) NPC1MAPTALDH1A1LMNACRHBP
SCHEMBL29177211 0.83 NPC1 (0.43) NPC1MAPTALDH1A1LMNACRHBP
SCHEMBL20718858 0.80 NPC1 (0.42) NPC1MAPTALDH1A1LMNACRHBP
SCHEMBL31509441 0.78 NPC1 (0.44) NPC1MAPTALDH1A1LMNAKMT2A
SCHEMBL26984384 0.76 ALDH1A1 (0.45) NPC1ALDH1A1LMNAKMT2AHTT
SCHEMBL31572395 0.75 PDE1C (0.43) NPC1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL1641895 0.73 MAPT (0.47) NPC1MAPTALDH1A1LMNACRHBP
SCHEMBL10531013 0.73 LMNA (0.54) NPC1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL16207392 0.73 GAA (0.40) ALDH1A1LMNAL3MBTL1KMT2AHTT
SCHEMBL20298767 0.72 NPC1 (0.52) NPC1MAPTALDH1A1LMNAAKR1B1

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-0880508-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
US-6184225-B1 ENDOTHELIAL GROWTH FACTOR INHIBITORS, ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2001-02-06 US disclosed
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 WO disclosed