SCHEMBL7490347

SCHEMBL7490347

Nc1cccc(NC(=O)CBr)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.55
BIRC2 Q13490 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPK8 P45983 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
JAK3 P52333 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL22417702 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1RAB9ANPC1TDP1
SCHEMBL16899020 0.83 XIAP (0.59) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL431114 0.83 XIAP (0.55) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL28734996 0.80 XIAP (0.56) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL7727310 0.79 XIAP (0.55) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL432255 0.79 XIAP (0.51) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4138786 0.79 XIAP (0.51) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4377108 0.78 XIAP (0.62) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL13403439 0.78 XIAP (0.62) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL29751774 0.77 XIAP (0.65) XIAPBIRC2SMN1; SMN2ALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250324-A1 BIARYL COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THERAPY RiboTargets Limited (GB) 2002-10-23 EP disclosed
WO-2001055111-A1 BIARYL COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THERAPY RIBOTARGETS LIMITED (GB) 2001-08-02 WO disclosed