SCHEMBL5915

SCHEMBL5915

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
FASN P49327 1/20 0.42
KDM1A O60341 5/20 0.40
MAPT P10636 5/20 0.39
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTT P42858 1/20 0.37
KAT2B Q92831 1/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
VNN1 O95497 1/20 0.36
PAX8 Q06710 1/20 0.36
NAMPT P43490 1/20 0.35
RORC P51449 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5913 1.00 KMT2A (0.44) KMT2AFASNKDM1AMAPTUSP30
SCHEMBL6637 0.92 KMT2A (0.52) KMT2AFASNKDM1AMAPTUSP30
SCHEMBL6635 0.92 KMT2A (0.52) KMT2AFASNKDM1AMAPTUSP30
SCHEMBL6905 0.85 KAT2B (0.43) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL6123 0.85 NPY5R (0.42) FASNMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL6121 0.85 NPY5R (0.42) FASNMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL6903 0.85 KAT2B (0.43) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL7675 0.84 FASN (0.44) FASNKDM1AUSP30KCNH2VNN1
SCHEMBL7673 0.84 FASN (0.44) FASNKDM1AUSP30KCNH2VNN1
SCHEMBL7209 0.82 STAT3 (0.45) KMT2AMAPTALDH1A1CYP1A2CYP2C19

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