SCHEMBL6905

SCHEMBL6905

Cc1ccc([N+](=O)[O-])c(NCC2CCN(C(=O)C3CC3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
CYP3A4 P08684 1/20 0.39
GRK6 P43250 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6903 1.00 KAT2B (0.43) KAT2BMAPTALDH1A1CYP2C9CYP2C19
SCHEMBL6263 0.92 KAT2B (0.44) KAT2BMAPTALDH1A1MEN1KMT2A
SCHEMBL6261 0.92 KAT2B (0.44) KAT2BMAPTALDH1A1MEN1KMT2A
SCHEMBL11909741 0.89 KAT2B (0.45) KAT2BMAPTALDH1A1CYP2C9CYP2C19
SCHEMBL11909744 0.89 KAT2B (0.45) KAT2BMAPTALDH1A1CYP2C9CYP2C19
SCHEMBL6121 0.88 NPY5R (0.42) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL6123 0.88 NPY5R (0.42) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL5748 0.87 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5746 0.87 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5913 0.85 KMT2A (0.44) KAT2BMAPTALDH1A1CYP2C9CYP2C19

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