SCHEMBL4732869

SCHEMBL4732869

COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 10/20 0.55
PRSS12 P56730 2/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.47
HSD11B1 P28845 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MGLL Q99685 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 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
SCHEMBL4909134 0.92 FASN (0.50) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL4784787 0.87 PRSS12 (0.55) FASNPRSS12ALDH1A1LMNASMN1; SMN2
SCHEMBL4735855 0.84 FASN (0.57) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL4734309 0.84 FASN (0.58) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL4732468 0.84 FASN (0.56) FASNPRSS12MEN1KMT2ALMNA
SCHEMBL4735653 0.83 HSD11B1 (0.60) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL16799774 0.83 FASN (0.51) FASNPRSS12ABL1
SCHEMBL4736480 0.83 FASN (0.68) FASNPRSS12MEN1KMT2ALMNA
SCHEMBL4854545 0.82 FASN (0.55) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL4785982 0.82 FASN (0.58) FASNPRSS12LMNAMAPTHSD11B1

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 claimed