SCHEMBL20344472

SCHEMBL20344472

CNc1ccc(Br)cc1CCCC=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.33
MEN1 O00255 6/20 0.32
ALDH1A1 P00352 6/20 0.32
KMT2A Q03164 6/20 0.32
POLB P06746 5/20 0.32
MAPT P10636 5/20 0.32
KDM4E B2RXH2 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 4/20 0.32
GAA P10253 3/20 0.32
RECQL P46063 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL25899811 0.80 STAT3 (0.35) STAT3MEN1ALDH1A1KMT2APOLB
SCHEMBL10407956 0.79 POLB (0.39) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL19980140 0.78 KIF11 (0.40) MEN1KMT2APOLBMAPTGAA
SCHEMBL19980152 0.77 TMEM97 (0.38) ALDH1A1POLBMAPTKDM4ESMN1; SMN2
SCHEMBL20615440 0.76 CHRNB2 (0.41) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL15173341 0.76 MAPK1 (0.46) STAT3ALDH1A1POLBMAPTKDM4E
SCHEMBL19980141 0.75 STAT3 (0.32) STAT3MEN1ALDH1A1KMT2APOLB
SCHEMBL19980155 0.75 STAT3 (0.32) STAT3MEN1ALDH1A1KMT2APOLB
SCHEMBL20344614 0.75 STAT3 (0.31) STAT3MEN1ALDH1A1KMT2APOLB
SCHEMBL21983696 0.73 APEX1 (0.38) STAT3MEN1ALDH1A1KMT2APOLB

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-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed