SCHEMBL6201765

SCHEMBL6201765

CCS(=O)(=O)c1ccc2oc(-c3c[nH]nc3-c3ccc(N(C(=O)COc4ccccc4)C(C)C)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 4/20 0.49
CYP1A2 P05177 1/20 0.49
AHR P35869 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CETP P11597 2/20 0.46
MAPT P10636 6/20 0.40
MAOB P27338 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6084691 0.79 CETP (0.59) CETPMAPTTHRBKMT2AMEN1
SCHEMBL6201770 0.79 CETP (0.51) UTRNCYP1A2AHRHDAC6CETP
SCHEMBL6084333 0.77 CETP (0.56) UTRNCYP1A2AHRHDAC6CETP
SCHEMBL6085579 0.76 CETP (0.52) UTRNCYP1A2AHRHDAC6CETP
SCHEMBL6085596 0.74 CETP (0.48) UTRNCYP1A2AHRHDAC6CETP
SCHEMBL6085287 0.74 CETP (0.56) UTRNCYP1A2AHRHDAC6CETP
SCHEMBL6086812 0.74 CETP (0.50) UTRNCYP1A2AHRHDAC6CETP
SCHEMBL6085349 0.73 CETP (0.53) UTRNCYP1A2AHRHDAC6CETP
SCHEMBL6085118 0.73 CETP (0.51) HDAC6CETPMAPTTHRBRXFP1
SCHEMBL6085938 0.73 CETP (0.50) UTRNCYP1A2AHRHDAC6CETP

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed