SCHEMBL3045481

SCHEMBL3045481

Nc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 3/20 0.47
APP P05067 2/20 0.44
HSP90AA1 P07900 1/20 0.43
OPRK1 P41145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 2/20 0.42
CYP19A1 P11511 2/20 0.42
ESR2 Q92731 2/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5959613 0.87 ALDH1A1 (0.75) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL9114032 0.80 ALDH1A1 (0.69) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL7803648 0.77 CASP3 (0.66) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL14664048 0.77 CASP3 (0.63) CASP3SENP8SENP7SENP6ALDH1A1
4-Nitroaniline SCHEMBL16451 0.75 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL9065915 0.75 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL13529022 0.75 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTESR1
4-Nitroaniline SCHEMBL27963818 0.75 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTESR1
SCHEMBL20224294 0.75 MAPT (0.55) ALDH1A1KMT2AMEN1MAPTAPP
SCHEMBL28686617 0.74 CASP3 (1.00) CASP3SENP8SENP7SENP6ALDH1A1

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
JP-2010159232-A 9-(4-AMINOPHENYLETHYNYL)-10-(4-NITROPHENYLETHYNYL)ANTHRACENE, AND METHOD FOR PRODUCING THE SAME WAKAYAMA SEIKA KOGYO KK 2010-07-22 JP disclosed
JP-2010159232-A 9-(4-AMINOPHENYLETHYNYL)-10-(4-NITROPHENYLETHYNYL)ANTHRACENE, AND METHOD FOR PRODUCING THE SAME WAKAYAMA SEIKA KOGYO KK 2010-07-22 JP disclosed