SCHEMBL27286013

SCHEMBL27286013

CCn1nccc1-c1ccc(O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALK Q9UM73 1/20 0.43
ABL1 P00519 1/20 0.43
ESR2 Q92731 6/20 0.42
PRKCZ Q05513 1/20 0.42
SLC13A5 Q86YT5 1/20 0.41
ESR1 P03372 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
NR3C2 P08235 1/20 0.38
CYP19A1 P11511 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL31413907 0.78 ABL1 (0.46) ALKABL1SLC13A5MEN1KMT2A
SCHEMBL28193398 0.78 ALDH1A1 (0.40) CYP3A4ALKABL1SLC13A5MEN1
SCHEMBL13523182 0.77 IDO1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL22643216 0.72 NISCH (0.44) CYP3A4ALKABL1SLC13A5RAB9A
SCHEMBL3488413 0.71 SLC13A5 (0.46) CYP17A1CYP3A4ALKABL1SLC13A5
SCHEMBL31306241 0.71 SLC13A5 (0.46) CYP17A1CYP3A4ALKABL1SLC13A5
SCHEMBL23923818 0.71 CCNK (0.38) ALKABL1SLC13A5MEN1KMT2A
SCHEMBL16348324 0.71 GFER (0.46) ESR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17066883 0.71 ALK (0.50) CYP3A4ALKABL1SLC13A5MEN1
SCHEMBL27278397 0.71 ALDH1A1 (0.44) CYP17A1CYP3A4MEN1KMT2ASMN1; SMN2

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
CN-1014787-B Process for producing phenoxyacetic acid derivatives TANABE SEIYAKU CO (JP) 1991-11-20 CN claimed