SCHEMBL7735176

SCHEMBL7735176

NCC(O)CCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
IKBKB O14920 1/20 0.39
C1R P00736 1/20 0.38
ELANE P08246 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
KLK7 P49862 3/20 0.35
KLK14 Q9P0G3 3/20 0.35
KLK5 Q9Y337 3/20 0.35
CTSG P08311 2/20 0.35

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
SCHEMBL7733892 0.87 MAPT (0.40) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7724920 0.81 NPC1 (0.42) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7733868 0.79 RXRA (0.46) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7734118 0.78 HDAC3 (0.42) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7725109 0.78 MAPT (0.44) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL8790418 0.76 MAPT (0.39) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL8790421 0.76 MAPT (0.39) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7724927 0.76 MTNR1A (0.44) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7724412 0.74 NR4A2 (0.41) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7735657 0.71 NPC1 (0.49) NPC1RAB9AMAPTTP53SMN1; 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 1 patent. 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