SCHEMBL7495276

SCHEMBL7495276

Nc1ccc2nc(OC(F)(F)F)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
GAA P10253 5/20 0.55
PKM P14618 3/20 0.55
TP53 P04637 3/20 0.55
HSD17B10 Q99714 2/20 0.55
SCN4A P35499 2/20 0.55
LMNA P02545 2/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
SLC6A2 P23975 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 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
SCHEMBL9517440 0.88 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL9848729 0.80 NPC1 (0.66) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL31219323 0.78 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL14726160 0.78 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL5028769 0.78 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL19899946 0.77 APP (0.48) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL3938450 0.76 PTGS1 (0.50) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL19900645 0.76 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL20856609 0.75 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL22130237 0.74 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678022-B1 APPLICATION OF RILUZOLE AS A RADIORESTORER RHONE POULENC RORER SA (FR) 1996-11-13 EP disclosed
EP-0678023-B1 APPLICATION OF RILUZOLE IN THE TREATMENT OF PARKINSON'S DISEASE AND PARKINSONIAN SYNDROMES RHONE POULENC RORER SA (FR) 1996-10-23 EP disclosed
EP-0678023-A1 APPLICATION OF RILUZOLE IN THE TREATMENT OF PARKINSON'S DISEASE AND PARKINSONIAN SYNDROMES. RHONE POULENC RORER SA (FR) 1995-10-25 EP disclosed
EP-0678022-A1 APPLICATION OF RILUZOLE AS A RADIORESTORER. RHONE POULENC RORER SA (FR) 1995-10-25 EP disclosed
WO-1994015601-A1 APPLICATION OF RILUZOLE IN THE TREATMENT OF PARKINSON'S DISEASE AND PARKINSONIAN SYNDROMES RHONE-POULENC RORER S.A. (FR) 1994-07-21 WO disclosed
WO-1994015600-A1 APPLICATION OF RILUZOLE AS A RADIORESTORER RHONE-POULENC RORER S.A. (FR) 1994-07-21 WO disclosed