SCHEMBL8749882

SCHEMBL8749882

O=C(O)CCCNc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
LMNA P02545 2/20 0.54
ATM Q13315 1/20 0.54
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KAT2B Q92831 3/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCAR3 P49019 2/20 0.43
GAA P10253 1/20 0.43
SIRT5 Q9NXA8 2/20 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
SCHEMBL8868809 0.95 HPGD (0.58) HPGDLMNAATMTHRBL3MBTL1
SCHEMBL1653792 0.82 GPR35 (0.49) LMNAL3MBTL1KAT2BMAPTMEN1
SCHEMBL7059270 0.82 HPGD (0.62) HPGDLMNAATMTHRBL3MBTL1
SCHEMBL8979405 0.82 HPGD (0.62) HPGDLMNAATMTHRBL3MBTL1
SCHEMBL4359815 0.82 MAPT (0.63) HPGDLMNAATMTHRBL3MBTL1
SCHEMBL29183738 0.81 TSHR (0.52) KAT2BMAPTMEN1KMT2ATDP1
SCHEMBL8749857 0.80 KAT2B (0.47) KAT2BMAPTMEN1KMT2ATDP1
SCHEMBL11412694 0.79 KAT2B (0.43) HPGDTHRBL3MBTL1KAT2BMAPT
Hydrochloric Acid SCHEMBL9225184 0.79 KAT2B (0.48) KAT2BALDH1A1HCAR3
SCHEMBL5026709 0.78 KAT2B (0.60) HPGDLMNAATML3MBTL1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524788-B1 Process for lysing liposome membrane WAKO PURE CHEM IND LTD (JP) 1997-02-12 EP disclosed
US-5501953-A MIXING WITH SURFACTANTS, AVIDIN AND BIOTIN FOR MARKING AND RELEASING WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-26 US disclosed
EP-0524788-A1 Process for lysing liposome membrane WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-01-27 EP disclosed