SCHEMBL11045904

SCHEMBL11045904

O=[N+]([O-])c1ccc(Cc2ccnc(Cc3ccc([N+](=O)[O-])cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
MPI P34949 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
CXCR3 P49682 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL12727962 0.84 POLB (0.63) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL11039825 0.83 POLB (0.61) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL177812 0.80 POLB (1.00) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL1644426 0.80 POLB (0.58) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL2288453 0.80 POLB (0.58) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL12727965 0.80 POLB (0.58) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL1644550 0.80 POLB (0.58) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL1053453 0.80 KMT2A (0.60) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL8094050 0.80 POLB (0.76) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL44366 0.80 POLB (0.76) POLBMAPTALDH1A1KMT2AKDM4E

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-4436819-A QUANTIFYING, WITH COLOR CHANGE UPON REACTION ASSAY TEC ASSOCIATES, INC. (US) 1984-03-13 US disclosed