SCHEMBL7686728

SCHEMBL7686728

O=C(O)CCC(c1ccc(Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
ALOX12 P18054 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
CXCR2 P25025 1/20 0.51
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HSP90AA1 P07900 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
FNTA P49354 1/20 0.45

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
SCHEMBL11126171 0.89 CNR1 (0.62) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL7919851 0.87 CNR1 (0.55) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL7686726 0.86 L3MBTL1 (0.48) HPGDALOX12L3MBTL1CNR1CNR2
SCHEMBL224794 0.79 ALOX12 (1.00) HPGDALOX12L3MBTL1CXCR2MEN1
SCHEMBL9479463 0.79 ALOX12 (1.00) HPGDALOX12L3MBTL1CXCR2MEN1
SCHEMBL7686731 0.78 HPGD (0.57) HPGDALOX12L3MBTL1CNR1CNR2
Hydrochloric Acid SCHEMBL3693418 0.77 ALOX12 (0.96) HPGDALOX12L3MBTL1CXCR2MEN1
SCHEMBL9717470 0.77 ALOX12 (0.96) HPGDALOX12L3MBTL1CXCR2MEN1
SCHEMBL8646829 0.77 ALDH1A1 (0.46) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL11824779 0.75 LTA4H (0.48) HPGDALOX12L3MBTL1MEN1KMT2A

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-6482822-B1 N-(iminomethyl)amines derivatives, their preparation, their use as medicines and compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-11-19 US disclosed