SCHEMBL28069955

SCHEMBL28069955

O=C(CCBr)Nc1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
HTT P42858 1/20 0.62
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 1/20 0.55
HIF1A Q16665 1/20 0.53
EPAS1 Q99814 1/20 0.53
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MITF O75030 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
PAX8 Q06710 1/20 0.52
KLF5 Q13887 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL31444807 0.87 NPC1 (0.57) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL6692876 0.87 NPC1 (0.57) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5197892 0.87 NPC1 (0.57) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5145754 0.84 KMT2A (0.62) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL23857904 0.84 FNTA (0.67) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL11221078 0.84 SMN1; SMN2 (0.64) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL9912441 0.81 NPC1 (0.58) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL28172169 0.81 NPC1 (0.58) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL28745974 0.81 GAA (0.79) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL7567258 0.81 SMN1; SMN2 (0.69) SMN1; SMN2HTTNPC1RAB9AKMT2A

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-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed