SCHEMBL10279

SCHEMBL10279

CN(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CCN(C(=O)C2CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.42
MAPK1 P28482 1/20 0.42
PDK2 Q15119 2/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
STAT3 P40763 1/20 0.40
EPHX2 P34913 1/20 0.39
TACR1 P25103 4/20 0.39

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
SCHEMBL12076557 0.80 LMNA (0.47) MAPTCYP3A4ALDH1A1KMT2ALMNA
SCHEMBL2036605 0.78 HTT (0.40) MAPTCYP3A4MEN1KMT2ALMNA
SCHEMBL5754545 0.74 MAPT (0.47) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL2750399 0.74 MAPT (0.47) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7209 0.74 STAT3 (0.45) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7207 0.74 STAT3 (0.45) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL10797 0.74 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2027839 0.73 JAK2 (0.42) MAPTKMT2ALMNANPC1HTT
SCHEMBL2034821 0.73 ELANE (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL12764522 0.73 TXNRD1 (0.48)

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