SCHEMBL9446433

SCHEMBL9446433

O=[N+]([O-])c1ccc(N=Nc2ccc3c(c2)CCCN3CCO)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
NPC1 O15118 3/20 0.63
MAPK1 P28482 3/20 0.63
RAB9A P51151 3/20 0.63
NPSR1 Q6W5P4 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
NOS3 P29474 6/20 0.40
NOS1 P29475 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NOS2 P35228 1/20 0.40
KCNH2 Q12809 1/20 0.39
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL142527 0.79 MAPT (0.48) MAPTNPC1MAPK1RAB9ANPSR1
Hydrochloric Acid SCHEMBL9015908 0.78 NOS3 (0.47) MAPTNPC1MAPK1RAB9ANPSR1
SCHEMBL17689388 0.77 MAPT (0.62) MAPTNPC1MAPK1RAB9ANPSR1
SCHEMBL27590572 0.74 SIRT2 (0.44) MAPTNPC1MAPK1RAB9ANPSR1
SCHEMBL18000472 0.74 MAPT (0.49) MAPTNPC1MAPK1RAB9ANPSR1
SCHEMBL16690277 0.74 MAPT (0.48) MAPTNPC1MAPK1RAB9ANPSR1
SCHEMBL2676126 0.73 NOS3 (0.44) MAPTNPC1MAPK1RAB9AL3MBTL1
SCHEMBL16690299 0.72 MAPT (0.46) MAPTNPC1MAPK1RAB9ANPSR1
SCHEMBL2675035 0.71 HRH3 (0.47) ALDH1A1GAANOS3NOS1MEN1
SCHEMBL2674973 0.71 ALDH1A1 (0.47) MAPTNPC1MAPK1RAB9AL3MBTL1

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-0513247-A4 SIDE CHAIN COPOLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE 1993-02-03 EP disclosed
EP-0513247-A1 SIDE CHAIN COPOLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORPORATION (US) 1992-11-19 EP disclosed
US-5044725-A Polymeric thin film waveguide media HOECHST CELANESE CORP. (US) 1991-09-03 US disclosed
WO-1991012462-A1 SIDE CHAIN COPOLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORPORATION (US) 1991-08-22 WO disclosed
US-5041509-A Side chain copolymers exhibiting nonlinear optical response CORNING INCORPORATRED 1991-08-20 US disclosed
US-5002361-A Polymeric thin film waveguide media HOECHST CELANESE CORP. (US) 1991-03-26 US disclosed