SCHEMBL4726328

SCHEMBL4726328

NN=CC=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 10/20 0.59
ALDH1A1 P00352 9/20 0.59
TDP1 Q9NUW8 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MAPK1 P28482 3/20 0.59
SOS1 Q07889 1/20 0.58
HTT P42858 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 3/20 0.53
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.50
MAOB P27338 1/20 0.49

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
SCHEMBL5440780 0.84 SOS1 (0.71) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5440784 0.84 SOS1 (0.71) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11049170 0.80 MAPT (0.69) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14935499 0.80 MAPT (0.69) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9978289 0.80 MAPT (0.69) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7192692 0.80 MAPT (0.56) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL29414981 0.79 SOS1 (0.65) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL566396 0.79 SOS1 (0.65) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL446484 0.79 SOS1 (0.65) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3846862 0.79 SOS1 (0.65) RAB9ANPC1MEN1KMT2AMAPT

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
WO-2008021250-A2 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING BCL-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-02-21 WO disclosed