SCHEMBL1902091

SCHEMBL1902091

Cc1cc(C(=O)Nc2ccc(Cl)nc2)nn1C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
MAPT P10636 1/20 0.60
KCNQ3 O43525 17/20 0.53
KCNQ2 O43526 17/20 0.53
KCNE1 P15382 13/20 0.50
KCNQ1 P51787 13/20 0.50
BACE1 P56817 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1898437 0.84 NPC1 (0.78) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1898884 0.82 NPC1 (0.78) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1898341 0.81 NPC1 (0.76) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13757469 0.79 NPC1 (0.78) RAB9ANPC1MAPT
SCHEMBL15221541 0.79 NPC1 (0.62) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4255748 0.78 NPC1 (0.67) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7744337 0.77 RAB9A (0.49) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL14340260 0.76 KCNQ3 (0.54) RAB9AMAPTKCNQ3KCNQ2KCNE1
SCHEMBL4255743 0.76 NPC1 (0.64) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2300416 0.75 NPC1 (1.00) RAB9ANPC1MAPTSMN1; 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
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed