SCHEMBL7735657

SCHEMBL7735657

Clc1cc(Br)c2oc(-c3ccccc3Cl)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
TP53 P04637 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
C1R P00736 1/20 0.48
ELANE P08246 2/20 0.47
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
CTSG P08311 2/20 0.43
KLK7 P49862 2/20 0.43
KLK14 Q9P0G3 2/20 0.43
KLK5 Q9Y337 2/20 0.43

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
SCHEMBL26390969 0.82 SMN1; SMN2 (0.56) NPC1RAB9ATP53SMN1; SMN2ELANE
SCHEMBL7733884 0.77 MAOB (0.48) NPC1RAB9ATP53SMN1; SMN2HDAC6
SCHEMBL7724920 0.75 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7734276 0.75 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7724834 0.73 L3MBTL1 (0.39) MAPTC1RHTTCETPKDM4E
SCHEMBL7733868 0.73 RXRA (0.46) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7734118 0.72 HDAC3 (0.42) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7733892 0.72 MAPT (0.40) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2490307 0.72 ELANE (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14409213 0.71 ESR2 (0.71) HDAC6ESR2ESR1

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed