SCHEMBL7734276

SCHEMBL7734276

OCC#Cc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
C1R P00736 1/20 0.41
ELANE P08246 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KLK7 P49862 3/20 0.38
KLK14 Q9P0G3 3/20 0.38
KLK5 Q9Y337 3/20 0.38
CTSG P08311 2/20 0.38
PRSS1 P07477 1/20 0.38

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
SCHEMBL7724833 0.85 PGK1 (0.45) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2490307 0.82 ELANE (0.41) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL7735271 0.82 MAOB (0.41) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL7733881 0.79 NLRP3 (0.36) MAPTC1RHTTKDM4EALDH1A1
SCHEMBL7734319 0.78 AKR1B1 (0.34) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7737446 0.77 PGK1 (0.35) MEN1KMT2AALDH1A1PGK1
SCHEMBL7737473 0.77 MEN1 (0.39) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL7724920 0.76 NPC1 (0.42) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL7733971 0.75 MAPT (0.46) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL7735657 0.75 NPC1 (0.49) NPC1RAB9ATP53MAPTSMN1; SMN2

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