SCHEMBL7108760

SCHEMBL7108760

NNC(=S)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
RAB9A P51151 2/20 0.51
AKR1C3 P42330 1/20 0.50
MAPT P10636 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45

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
Hydrochloric Acid SCHEMBL5220657 0.98 IDO1 (0.57) IDO1RAB9AAKR1C3MAPTLOXL2
SCHEMBL6046636 0.83 RAB9A (0.59) IDO1RAB9AAKR1C3MAPTLOXL2
SCHEMBL6562098 0.82 IDO1 (0.61) IDO1RAB9AAKR1C3LOXL2NPC1
Hydrochloric Acid SCHEMBL11574226 0.81 IDO1 (0.58) IDO1RAB9AAKR1C3MAPTLOXL2
SCHEMBL28502948 0.80 IDO1 (0.58) IDO1RAB9AAKR1C3LOXL2ALDH1A1
SCHEMBL8601259 0.79 IDO1 (0.56) IDO1RAB9AAKR1C3MAPTALDH1A1
SCHEMBL1555636 0.77 ALDH1A1 (0.59) IDO1RAB9AAKR1C3MAPTALDH1A1
SCHEMBL1013 0.77 IDO1 (0.62) IDO1RAB9AAKR1C3LOXL2ALDH1A1
SCHEMBL2299040 0.77 IDO1 (0.58) IDO1RAB9AAKR1C3MAPTNPC1
SCHEMBL10509450 0.77 HTT (0.50) IDO1RAB9AAKR1C3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351934-A1 NAPHTHALENE DERIVATIVES WHICH BIND TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002050032-A1 NAPHTHALENE DERIVATIVES WHICH BIND TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed