SCHEMBL4736124

SCHEMBL4736124

Cc1ccc(C(=O)N2CCC(c3ccc([N+](=O)[O-])cc3)CC2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.48
KMT2A Q03164 4/20 0.47
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4733674 0.86 ALDH1A1 (0.52) FASNKMT2AMGLLALDH1A1TP53
SCHEMBL14209216 0.86 ALDH1A1 (0.52) FASNMGLLALDH1A1CA12CA1
SCHEMBL4175647 0.85 PARP10 (0.56) FASNALDH1A1TP53HPGD
SCHEMBL4191753 0.84 PARP10 (0.58) FASNKMT2AHSD11B1ALDH1A1TP53
SCHEMBL4197739 0.84 FASN (0.61) FASNMGLLALDH1A1TP53HPGD
SCHEMBL16799271 0.84 HPGD (0.50) FASNALDH1A1TSHRTP53HPGD
SCHEMBL4735211 0.83 CA12 (0.58) FASNHSD11B1ALDH1A1HTTTSHR
SCHEMBL4183575 0.83 CA12 (0.53) FASNALDH1A1CYP3A4CA12CA1
SCHEMBL4731334 0.82 FASN (0.63) FASNKMT2AHSD11B1ALDH1A1GAA
SCHEMBL4735697 0.82 LMNA (0.51) FASNHSD11B1ALDH1A1TP53HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed