SCHEMBL8868809

SCHEMBL8868809

O=C(O)CCCCCNc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
THRB P10828 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.49
KAT2B Q92831 3/20 0.48
ALDH1A1 P00352 2/20 0.44
HCAR3 P49019 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PRSS1 P07477 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL8749882 0.95 HPGD (0.54) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL7059270 0.88 HPGD (0.62) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL8979405 0.88 HPGD (0.62) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL4359815 0.88 MAPT (0.63) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL1653792 0.80 GPR35 (0.49) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL8749857 0.80 KAT2B (0.47) MAPTMEN1KMT2ATDP1KAT2B
SCHEMBL8869597 0.80 KAT2B (0.49) HPGDTHRBL3MBTL1MAPTMEN1
Hydrochloric Acid SCHEMBL9225184 0.79 KAT2B (0.48) KAT2BALDH1A1HCAR3PRSS1
SCHEMBL11412694 0.79 KAT2B (0.43) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL29183738 0.79 TSHR (0.52) MAPTMEN1KMT2ATDP1KAT2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614368-A LABELLED-HAPTEN WITH POLYPEPTIDES FOR DIAGNOSIS OF ANTIGENS AND ANTIBODIES MOLECULAR DEVICES CORPORATION (US) 1997-03-25 US disclosed
US-5258507-A FOR IN SITU DETECTION OF NUCLEIC ACID SEQUENCES AMOCO CORPORATION (US) 1993-11-02 US disclosed
US-5180828-A Proteins and polynucleotides, nondestructive MOLECULAR DEVICES CORPORATION (US) 1993-01-19 US disclosed
EP-0485155-A1 Novel labeling reagents useful for the chemical attachment of nitrophenyl derivative ligands to DNA probes AMOCO CORPORATION (US) 1992-05-13 EP disclosed