SCHEMBL7686726

SCHEMBL7686726

O=C(O)CCC(c1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
CXCR2 P25025 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.40
CXCR1 P25024 1/20 0.40

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
SCHEMBL7686728 0.86 HPGD (0.62) L3MBTL1HPGDALOX12CTSVCTSL
SCHEMBL11126171 0.80 CNR1 (0.62) CNR1CNR2MAPTKMT2AMEN1
SCHEMBL7919851 0.79 CNR1 (0.55) CNR1CNR2MAPTKMT2AMEN1
SCHEMBL11828315 0.74 GAA (0.44) L3MBTL1HPGDMAPTKMT2AMEN1
SCHEMBL7165547 0.70 L3MBTL1 (0.57) L3MBTL1HPGDALOX12CTSVCTSL
SCHEMBL8646829 0.69 ALDH1A1 (0.46) CNR1CNR2MAPTKMT2AMEN1
SCHEMBL9871987 0.69 ALDH1A1 (0.47) L3MBTL1CNR1CNR2MAPTKMT2A
SCHEMBL10347131 0.69 CYP3A4 (0.48) HPGDCNR1CNR2MAPTKMT2A
SCHEMBL7686731 0.68 HPGD (0.57) L3MBTL1HPGDALOX12CNR1CNR2
SCHEMBL4251354 0.68 CTSV (0.71) L3MBTL1HPGDALOX12CTSVCTSL

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