SCHEMBL4909134

SCHEMBL4909134

COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4cc(C)nc(Cl)c4)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.50
PRSS12 P56730 3/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL4732869 0.92 FASN (0.55) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL4854545 0.92 FASN (0.55) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL4786572 0.86 FASN (0.53) FASNPRSS12LMNAMAPTPOLB
SCHEMBL4785982 0.82 FASN (0.58) FASNPRSS12LMNAMAPTPOLB
SCHEMBL4784787 0.82 PRSS12 (0.55) FASNPRSS12ALDH1A1LMNASMN1; SMN2
SCHEMBL4784807 0.81 FASN (0.70) FASNPRSS12
SCHEMBL4736480 0.80 FASN (0.68) FASNPRSS12MEN1KMT2ALMNA
SCHEMBL4735855 0.80 FASN (0.57) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL4735653 0.79 HSD11B1 (0.60) FASNPRSS12MEN1KMT2AALDH1A1
SCHEMBL16799774 0.79 FASN (0.51) FASNPRSS12ABL1

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