SCHEMBL13655383

SCHEMBL13655383

COc1cc(CC(CO)NC(=S)NC(C)(C)C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ACACB O00763 2/20 0.36
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
GSK3B P49841 3/20 0.32
CHRM1 P11229 1/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL6209835 0.80 POLB (0.43) RAB9ANPC1GSK3BKMT2AALDH1A1
SCHEMBL6209840 0.80 POLB (0.43) RAB9ANPC1GSK3BKMT2AALDH1A1
SCHEMBL14860713 0.79 LOX (0.47) LOXLOXL2ACACBGSK3BITGA4
SCHEMBL13655387 0.75 MEN1 (0.46) LOXLOXL2ACACBKMT2APOLB
SCHEMBL6232713 0.74 NPC1 (0.55) RAB9ANPC1GSK3BKMT2AALDH1A1
SCHEMBL6237990 0.73 ALDH1A1 (0.44) RAB9ANPC1KMT2AALDH1A1CYP3A4
SCHEMBL6209680 0.73 CNR1 (0.44) RAB9ANPC1KMT2ACYP3A4
SCHEMBL4058914 0.72 POLB (0.34) RAB9ANPC1KMT2AALDH1A1POLB
SCHEMBL6210731 0.71 LMNA (0.44) KMT2ATSHRALDH1A1POLBMEN1
SCHEMBL6210717 0.71 LMNA (0.44) KMT2ATSHRALDH1A1POLBMEN1

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
EP-1450750-B1 USE OF 2-AMINO-4-PYRIDYLMETHYL-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA SA (FR) 2009-10-21 EP disclosed