SCHEMBL8103968

SCHEMBL8103968

O=C1CN(c2ccc([N+](=O)[O-])cc2)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.48
SIRT6 Q8N6T7 2/20 0.47
ADRB1 P08588 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
SCN2A Q99250 1/20 0.44
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
ADORA1 P30542 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLEC Q15149 1/20 0.42
DDB1 Q16531 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
SCHEMBL29271601 0.79 SIRT6 (0.44) CRBNSIRT6ADRB1MAPTALDH1A1
SCHEMBL14580067 0.76 ALDH1A1 (0.56) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8104104 0.76 CRBN (0.67) CRBNMAPTALDH1A1POLBMEN1
SCHEMBL14318646 0.75 TSHR (0.46) SIRT6MAPTALDH1A1POLBCTSG
SCHEMBL6245696 0.74 CRBN (0.46) CRBNMAPTPOLBCTSGCMA1
SCHEMBL10813665 0.74 MEN1 (0.53) CRBNMAPTCTSGCMA1MEN1
SCHEMBL1421342 0.74 DDB1 (0.46) CRBNMAPTALDH1A1POLBCTSG
SCHEMBL10192194 0.74 MAPT (0.53) CRBNMAPTPOLBCTSGCMA1
SCHEMBL4539723 0.74 CRBN (0.46) CRBNMAPTALDH1A1POLBMEN1
SCHEMBL31011685 0.74 MAPT (0.56) CRBNSIRT6ADRB1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 EP disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 WO disclosed