SCHEMBL10696913

SCHEMBL10696913

NCCNc1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
PKM P14618 1/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 5/20 0.48
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
KAT2B Q92831 1/20 0.48
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
MEN1 O00255 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL6571966 0.87 KMT2A (0.64) POLBPKMKMT2AMAPTMYC
SCHEMBL6574685 0.83 LMNA (0.51) POLBPKMKMT2AMAPTMYC
SCHEMBL2468178 0.81 MAPT (0.55) POLBPKMKMT2AMAPTKAT2B
SCHEMBL6572192 0.80 HCAR3 (0.49) POLBKMT2AMAPTMYCMAX
SCHEMBL10776795 0.79 CYP19A1 (0.43) POLBPKMKMT2AMAPTKAT2B
SCHEMBL502704 0.78 KAT2B (0.58) POLBPKMKMT2AMAPTKAT2B
SCHEMBL29375013 0.78 KAT2B (0.58) POLBPKMKMT2AMAPTKAT2B
SCHEMBL6572033 0.77 MYC (0.48) POLBPKMKMT2AMAPTMYC
SCHEMBL11336979 0.77 MAPT (0.66) POLBKMT2AMAPTMYCMAX
SCHEMBL10653490 0.77 MEN1 (0.57) POLBPKMKMT2AMAPTKAT2B

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-0279122-A2 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 EP disclosed