SCHEMBL6282

SCHEMBL6282

O=C(C1CC1)N1CCC(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 2/20 0.50
MAPT P10636 8/20 0.49
PKM P14618 1/20 0.48
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LIPC P11150 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6280 1.00 STAT3 (0.54) STAT3MEN1KMT2AMAPK1MAPT
SCHEMBL7207 0.92 STAT3 (0.45) STAT3MEN1KMT2AMAPK1MAPT
SCHEMBL7209 0.92 STAT3 (0.45) STAT3MEN1KMT2AMAPK1MAPT
SCHEMBL11909530 0.90 STAT3 (0.56) STAT3MEN1KMT2AMAPK1MAPT
SCHEMBL11909527 0.90 STAT3 (0.56) STAT3MEN1KMT2AMAPK1MAPT
SCHEMBL5904 0.87 NPY5R (0.42) STAT3KMT2AMAPK1MAPT
SCHEMBL5906 0.87 NPY5R (0.42) STAT3KMT2AMAPK1MAPT
SCHEMBL6261 0.85 KAT2B (0.44) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL6263 0.85 KAT2B (0.44) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL12076494 0.84 LIPC (0.48) MEN1KMT2AMAPTLIPCLIPG

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