SCHEMBL28042337

SCHEMBL28042337

O=C(O)Nc1cc(Br)ncc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NTRK1 P04629 2/20 0.35
AR P10275 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATR Q13535 1/20 0.31
SNCA P37840 1/20 0.31
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL23461777 0.81 KDM4E (0.37) NPC1RAB9AGAAHDAC1HDAC8
SCHEMBL27083575 0.81 RAB9A (0.38) NPC1RAB9AMAPTGAANFKB1
SCHEMBL17336399 0.81 NPC1 (0.35) NPC1RAB9AMAPTGAANFKB1
SCHEMBL9938191 0.80 PTGDR2 (0.33)
SCHEMBL16208226 0.79 NPC1 (0.33) NPC1RAB9AMAPTGAANFKB1
SCHEMBL19616132 0.78 ASPH (0.41) NPC1RAB9AMAPTNTRK1AR
SCHEMBL15511586 0.75 AAK1 (0.39) NPC1RAB9AKMT2AMEN1ATR
SCHEMBL15541313 0.74 NPC1 (0.35) NPC1RAB9AMAPTGAANFKB1
SCHEMBL16702460 0.74 HCAR2 (0.34) NPC1RAB9AGAAKMT2AMEN1
SCHEMBL19173985 0.72 KCNQ3 (0.53) NPC1RAB9AMAPTHDAC1HDAC8

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-105143200-A Serine/threonine kinase inhibitors for the treatment of hyperproliferative|diseases ARRAY BIOPHARMA INC 2015-12-09 CN disclosed