SCHEMBL4725310

SCHEMBL4725310

c1ccc2oc(SCc3cn4ccccc4n3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 1.00
RAB9A P51151 13/20 1.00
SMN1; SMN2 Q16637 11/20 1.00
MAPT P10636 7/20 1.00
ALDH1A1 P00352 4/20 1.00
TSHR P16473 4/20 1.00
KDM4E B2RXH2 1/20 0.72
HIF1A Q16665 1/20 0.72
HTT P42858 2/20 0.57
TP53 P04637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NFKB1 P19838 1/20 0.57
GFER P55789 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PKM P14618 2/20 0.56
MAPK1 P28482 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55

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
SCHEMBL26626249 0.76 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL12010951 0.72 SMN1; SMN2 (0.74) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10867492 0.72 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10666500 0.72 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9517906 0.71 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL16972936 0.71 HPGD (0.74) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7878152 0.71 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL16998660 0.70 RAB9A (0.68) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8433045 0.68 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5623032 0.68 DDAH1 (0.65) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed