SCHEMBL3811713

SCHEMBL3811713

NCCOc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
ATM Q13315 1/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
HSPB1 P04792 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
PRSS1 P07477 3/20 0.43
S1PR4 O95977 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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 SCHEMBL4845394 0.98 TDP1 (0.53) TDP1ATMRAB9ANPC1RECQL
SCHEMBL3514013 0.84 MAPT (0.53) TDP1ATMRAB9ANPC1RECQL
SCHEMBL2548000 0.84 NPC1 (0.75) TDP1ATMRAB9ANPC1RECQL
SCHEMBL3533713 0.84 RAB9A (0.51) TDP1ATMRAB9ANPC1RECQL
SCHEMBL1924834 0.84 RAB9A (0.51) TDP1ATMRAB9ANPC1RECQL
SCHEMBL29382840 0.83 NPC1 (0.54) TDP1ATMRAB9ANPC1RECQL
SCHEMBL3484477 0.83 ALDH1A1 (0.52) TDP1ATMRAB9ANPC1RECQL
SCHEMBL10477058 0.83 MAPT (0.52) TDP1ATMRAB9ANPC1RECQL
SCHEMBL2833379 0.83 NPC1 (0.54) TDP1ATMRAB9ANPC1RECQL
SCHEMBL29960239 0.83 TDP1 (0.51) TDP1RAB9ANPC1RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B8 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-08-12 EP disclosed
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
EP-1885695-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2008-02-13 EP disclosed
WO-2007000550-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-01-04 WO disclosed