SCHEMBL10836802

SCHEMBL10836802

C#C/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.60
FBP1 P09467 2/20 0.58
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PTGS2 P35354 6/20 0.51
PTGS1 P23219 2/20 0.51
CYP19A1 P11511 2/20 0.51
MAOB P27338 5/20 0.46
BCHE P06276 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 3/20 0.44

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
SCHEMBL10836804 1.00 APP (0.60) APPFBP1MAPTNPC1RAB9A
SCHEMBL4750994 0.82 APP (0.62) APPFBP1MAPTNPC1RAB9A
SCHEMBL461047 0.82 APP (0.62) APPFBP1MAPTNPC1RAB9A
SCHEMBL9170804 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL9170800 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL458178 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL14947048 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL458177 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL8612499 0.81 APP (0.60) APPFBP1MAPTNPC1RAB9A
SCHEMBL3130064 0.81 APP (0.60) APPFBP1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4615962-A Diacetylenes having liquid crystal phases UNIVERSITY PATENTS, INC. (US) 1986-10-07 US disclosed
EP-0137679-A1 Diacetylenes having liquid crystal phases UNIVERSITY PATENTS, INC. (US) 1985-04-17 EP disclosed