SCHEMBL18948971

SCHEMBL18948971

CCc1csc(-c2ccc(C)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
GFER P55789 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 7/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
SREBF1 P36956 1/20 0.36
SREBF2 Q12772 1/20 0.36
MEN1 O00255 1/20 0.35
MPI P34949 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5760540 0.84 GFER (0.51) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL12598750 0.80 RAB9A (0.38) NPC1ALDH1A1MAPTGFERRAB9A
SCHEMBL10062532 0.78 RAB9A (0.48) NPC1ALDH1A1MAPTGFERRAB9A
SCHEMBL890218 0.77 NPC1 (0.50) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL91386 0.75 KDM4E (0.62) NPC1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL17130336 0.73 RAB9A (0.58) NPC1ALDH1A1MAPTGFERRAB9A
SCHEMBL890248 0.71 ALDH1A1 (0.44) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL10141714 0.71 ALDH1A1 (0.48) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL1470074 0.71 KCNH2 (0.47) NPC1ALDH1A1MAPTRAB9APOLB
SCHEMBL6760692 0.70 RAB9A (0.56) NPC1ALDH1A1MAPTGFERRAB9A

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed