SCHEMBL28015149

SCHEMBL28015149

[CH2]c1ccc2sc(C)nc2c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.35
HTT P42858 2/20 0.34
BLM P54132 1/20 0.34
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 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
SCHEMBL12930243 0.80 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL12109863 0.79 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6009383 0.78 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL10693986 0.76 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL1770192 0.76 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL5543585 0.76 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL23482163 0.76 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL12109870 0.76 MAPT (0.55) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL17281460 0.74 NPC1 (0.72) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL19699121 0.73 MAPT (0.49) NPC1RAB9AMAPTHSD17B10ALDH1A1

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-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed