SCHEMBL16083113

SCHEMBL16083113

CN(C)c1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.58
ALOX5 P09917 1/20 0.58
GRM1 Q13255 5/20 0.56
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
AR P10275 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GRM5 P41594 1/20 0.50
MAPK14 Q16539 1/20 0.49
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
NPY5R Q15761 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL22594687 0.84 RAB9A (0.62) RAB9AMAPTALDH1A1ALOX5GRM1
SCHEMBL12070478 0.82 RAB9A (0.60) RAB9AMAPTALDH1A1GRM1NPC1
SCHEMBL7476639 0.82 RAB9A (0.60) RAB9AMAPTALDH1A1ALOX5NPC1
SCHEMBL1009194 0.82 RAB9A (0.68) RAB9AMAPTALDH1A1ALOX5GRM1
SCHEMBL9481963 0.81 RAB9A (0.62) RAB9AMAPTALDH1A1GRM1NPC1
SCHEMBL6406776 0.78 RAB9A (0.60) RAB9AMAPTALDH1A1GRM1NPC1
SCHEMBL6406779 0.78 RAB9A (0.60) RAB9AMAPTALDH1A1GRM1NPC1
SCHEMBL1474111 0.77 RAB9A (0.63) RAB9AMAPTALDH1A1GRM1NPC1
SCHEMBL23486602 0.76 RAB9A (0.54) RAB9AMAPTALDH1A1NPC1MEN1
SCHEMBL7472306 0.76 MAPT (1.00) RAB9AMAPTALDH1A1NPC1MEN1

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
WO-2014139882-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2014-09-18 WO disclosed