SCHEMBL11779474

SCHEMBL11779474

O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.66
HPRT1 P00492 1/20 0.48
S100A4 P26447 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 6/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MCL1 Q07820 1/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MPI P34949 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
PMM2 O15305 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL11779478 1.00 HSP90AA1 (0.66) HSP90AA1HPRT1S100A4TRPV1MAPT
SCHEMBL11781032 0.92 HSP90AA1 (0.72) HSP90AA1HPRT1S100A4MAPTKDM4E
SCHEMBL11781023 0.92 HSP90AA1 (0.72) HSP90AA1HPRT1S100A4MAPTKDM4E
SCHEMBL11784857 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1S100A4MAPTKDM4E
SCHEMBL11781071 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1S100A4MAPTKDM4E
SCHEMBL11781076 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1S100A4MAPTKDM4E
SCHEMBL11784863 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1S100A4MAPTKDM4E
SCHEMBL16656204 0.88 HSP90AA1 (0.66) HSP90AA1HPRT1MAPTKDM4EMEN1
SCHEMBL11694416 0.87 HSP90AA1 (0.76) HSP90AA1HPRT1S100A4MAPTKDM4E
SCHEMBL11694409 0.87 HSP90AA1 (0.76) HSP90AA1HPRT1S100A4MAPTKDM4E

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-3935009-A FLUOREN-9-YLIDENE OCE-VAN DER GRINTEN N.V. (NL) 1976-01-27 US disclosed