SCHEMBL10885188

SCHEMBL10885188

NCC(=O)[N]c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 4/20 0.34
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC3 O15379 3/20 0.33
TSHR P16473 2/20 0.33
NCOR2 Q9Y618 1/20 0.33
CFTR P13569 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL1616188 0.75 GAA (0.50) GAAL3MBTL1NPC1RAB9AALOX15
SCHEMBL5839905 0.72 HTR3E (0.39) L3MBTL1ALOX15SMN1; SMN2CYP3A4MAPT
SCHEMBL10425652 0.71 ALDH1A1 (0.33) GAAL3MBTL1MAPTALDH1A1TSHR
SCHEMBL16627976 0.68 GAA (0.42) GAAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10886180 0.67 MAPT (0.42) GAAL3MBTL1NPC1RAB9AALOX15
SCHEMBL143318 0.66
SCHEMBL10884508 0.65 NOS1 (0.47) NPC1CYP3A4CASP1ALDH1A1HSD17B10
SCHEMBL28939523 0.65 GAA (0.48) GAAL3MBTL1NPC1RAB9AALOX15
SCHEMBL1389297 0.65 NPC1 (1.00) GAAL3MBTL1NPC1RAB9AALOX15
SCHEMBL18240065 0.65 NPC1 (1.00) GAAL3MBTL1NPC1RAB9AALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed