SCHEMBL7368865

SCHEMBL7368865

Cc1noc(-c2cc(Br)ccc2NC=O)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.39
ACHE P22303 1/20 0.38
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
LRRK2 Q5S007 1/20 0.34
ADRA1A P35348 1/20 0.34
TP53 P04637 3/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL12909247 0.76 ACHE (0.46) OPRK1ACHEKMT2AHTTSMN1; SMN2
SCHEMBL7373150 0.73 ACHE (0.41) OPRK1ACHEKMT2AHTTSMN1; SMN2
SCHEMBL7401408 0.72 KMT2A (0.44) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL4031243 0.71 NPC1 (0.48) OPRK1ACHEKMT2AHTTSMN1; SMN2
SCHEMBL21974177 0.69 KMT2A (0.35) ACHEKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7523472 0.69 SIGMAR1 (0.44) KMT2AHTTNPC1RAB9AMEN1
SCHEMBL30327110 0.69 TSHR (0.57) ACHEKMT2AHTTSMN1; SMN2NPC1
SCHEMBL12874500 0.68 S1PR1 (0.46) ACHEKMT2AHTTSMN1; SMN2NPC1
SCHEMBL3858388 0.67 ACHE (0.69) ACHEKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL18228323 0.66 MEN1 (0.37) KMT2ASMN1; SMN2TSHRMEN1MAPT

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
WO-1995027692-A1 SUBTITUTED BIPHENYL TNF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-19 WO disclosed