SCHEMBL14622003

SCHEMBL14622003

CC(=O)c1ccc[n+](Cc2ccc(N)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ACHE P22303 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CHKA P35790 1/20 0.40
LMNA P02545 3/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
BCHE P06276 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL14621781 0.86 NPSR1 (0.69) L3MBTL1NPSR1APOBEC3AAPOBEC3GALDH1A1
Hydrochloric Acid SCHEMBL2767719 0.84 NPSR1 (0.68) L3MBTL1NPSR1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL11238470 0.79 NPSR1 (0.47) L3MBTL1NPSR1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL13934018 0.79 NPSR1 (0.84) L3MBTL1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL5148115 0.76 L3MBTL1 (0.59) L3MBTL1NPSR1ALDH1A1ACHEKMT2A
Trifluoromethanesulfonic Acid SCHEMBL5674195 0.75 L3MBTL1 (0.56) L3MBTL1NPSR1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL10220439 0.75 APOBEC3A (0.50) L3MBTL1NPSR1APOBEC3AAPOBEC3GALDH1A1
Fluoride Ion SCHEMBL5148073 0.75 NPSR1 (0.77) L3MBTL1NPSR1ALDH1A1KMT2AMEN1
Bromide SCHEMBL5146810 0.75 NPSR1 (0.77) L3MBTL1NPSR1ALDH1A1ACHEKMT2A
Hydrochloric Acid SCHEMBL2767821 0.75 NPSR1 (0.77) L3MBTL1NPSR1ALDH1A1KMT2AMEN1

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-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed