SCHEMBL6650652

SCHEMBL6650652

CC(C)(C)Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2cnccn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.60
TAF1 P21675 1/20 0.60
TAF1L Q8IZX4 1/20 0.60
GAA P10253 8/20 0.50
MAPT P10636 5/20 0.50
SALL4 Q9UJQ4 1/20 0.50
TP53 P04637 1/20 0.50
ADRA1B P35368 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 2/20 0.47
TOP2A P11388 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43

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
Hydrochloric Acid SCHEMBL5166372 0.99 BRD4 (0.59) BRD4TAF1TAF1LGAAMAPT
SCHEMBL31193266 0.83 BRD4 (0.66) BRD4TAF1TAF1LGAAMAPT
SCHEMBL14433728 0.80 GAA (0.72) BRD4TAF1TAF1LGAAMAPT
SCHEMBL2924613 0.79 GAA (0.70) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL20889310 0.75 TRIM33 (0.65) BRD4TAF1TAF1LGAAMAPT
SCHEMBL16424677 0.75 BRD4 (1.00) BRD4TAF1TAF1L
SCHEMBL20889436 0.74 BRD4 (0.56) BRD4TAF1TAF1LGAAMAPT
SCHEMBL8160253 0.74 BRD4 (0.55) BRD4MAPTADRA1BALDH1A1TOP2A
SCHEMBL31193303 0.74 BRD4 (0.59) BRD4TAF1TAF1LGAAMAPT
SCHEMBL20889766 0.74 BRD4 (0.55) BRD4TAF1TAF1LGAAMAPT

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
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed