SCHEMBL28033272

SCHEMBL28033272

N#Cc1ccc(C(=O)c2cnc(N)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
PRNP P04156 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK14 Q16539 1/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MAP4K4 O95819 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CSNK2A1 P68400 1/20 0.41
VNN1 O95497 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL28033825 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2PRNPMAPK14
SCHEMBL28033278 0.80 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2PRNPMAPK14
SCHEMBL6319469 0.79 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPK14MAPT
SCHEMBL10768583 0.76 HPGD (0.57) NPC1RAB9ASMN1; SMN2MAPTCA1
SCHEMBL28033321 0.75 GAA (0.51) RAB9AMAPTCA1CA2ALDH1A1
SCHEMBL20142071 0.73 NPC1 (0.45) NPC1RAB9ASMN1; SMN2PRNPGSK3A
SCHEMBL8746213 0.72 MYC (0.47) NPC1RAB9AGSK3BMAPK14MAPT
SCHEMBL28033271 0.72 CES2 (0.44) NPC1RAB9ASMN1; SMN2PRNPMAPK14
SCHEMBL3433075 0.72 CA2 (0.67) NPC1RAB9AGSK3BMAPTCA1
SCHEMBL28033274 0.72 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPK14MAPT

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
CN-104870464-A polymannosides, method for the production thereof and their use as medicaments CENTRE NAT RECH SCIENT 2015-08-26 CN disclosed