SCHEMBL10797

SCHEMBL10797

Cc1cccc(N(C)C2CCN(C(=O)C3CC3)C2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR5 P51681 3/20 0.35
MCHR1 Q99705 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BTK Q06187 1/20 0.34
CCR6 P51684 1/20 0.34
VNN1 O95497 1/20 0.34

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
SCHEMBL10531 0.87 KMT2A (0.41) ALDH1A1LMNATDP1KMT2AMEN1
SCHEMBL12076557 0.78 LMNA (0.47) ALDH1A1LMNAHTTTDP1KMT2A
SCHEMBL2036605 0.76 HTT (0.40) LMNAHTTTDP1KMT2AMEN1
SCHEMBL10279 0.74 MAPT (0.44) ALDH1A1LMNAHTTTDP1POLB
SCHEMBL2034821 0.73 ELANE (0.43) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL6775 0.72 ALDH1A1 (0.48) ALDH1A1LMNAHTTTDP1POLB
SCHEMBL6773 0.72 ALDH1A1 (0.48) ALDH1A1LMNAHTTTDP1POLB
SCHEMBL2027839 0.71 JAK2 (0.42) LMNAHTTTDP1KMT2AMAPT
SCHEMBL12764522 0.69 TXNRD1 (0.48)
SCHEMBL29772903 0.67 USP30 (0.53) ALDH1A1LMNAKMT2AMEN1MAPT

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