SCHEMBL14123783

SCHEMBL14123783

C#Cc1ccc(/N=N/c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.41
HDAC8 Q9BY41 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTR3E A5X5Y0 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37

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
SCHEMBL137429 0.88 HDAC8 (0.43) NPC1RAB9AMAPTTDP1SMN1; SMN2
SCHEMBL137428 0.88 HDAC8 (0.43) NPC1RAB9AMAPTTDP1SMN1; SMN2
SCHEMBL121302 0.85
Bromide SCHEMBL28139811 0.83 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1CYP2A6HDAC8
SCHEMBL28344843 0.83 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1CYP2A6HDAC8
SCHEMBL27596658 0.83 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1CYP2A6HDAC8
Hydrochloric Acid SCHEMBL28998656 0.83 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1CYP2A6HDAC8
SCHEMBL28074280 0.83 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1CYP2A6HDAC8
Bromide SCHEMBL28475302 0.80 ALDH1A1 (0.48) MAPTTDP1L3MBTL1ALDH1A1CYP2A6
SCHEMBL17446281 0.80 NPC1 (0.61) NPC1RAB9AMAPTTDP1MAPK1

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
US-8325509-B2 Memory device SONY CORPORATION (JP) 2012-12-04 US disclosed