SCHEMBL10531

SCHEMBL10531

COc1cccc(N(C)C2CCN(C(=O)C3CC3)C2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ADRB1 P08588 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1D P28221 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL10797 0.87 ALDH1A1 (0.42) KMT2AMEN1LMNATDP1MCHR1
SCHEMBL2036605 0.74 HTT (0.40) KMT2AMEN1LMNATDP1
SCHEMBL12076557 0.74 LMNA (0.47) KMT2AGAALMNATDP1ALDH1A1
SCHEMBL6045 0.73 ALDH1A1 (0.42) KMT2AMEN1GAALMNAALDH1A1
SCHEMBL6047 0.73 ALDH1A1 (0.42) KMT2AMEN1GAALMNAALDH1A1
SCHEMBL12764522 0.73 TXNRD1 (0.48)
SCHEMBL10279 0.72 MAPT (0.44) KMT2AMEN1LMNATDP1MCHR1
SCHEMBL2034821 0.72 ELANE (0.43) KMT2AMEN1ALDH1A1
SCHEMBL10193193 0.68 TDP1 (0.50) KMT2AMEN1GAATDP1ALDH1A1
SCHEMBL2027839 0.67 JAK2 (0.42) KMT2ALMNATDP1

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-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed