SCHEMBL8663322

SCHEMBL8663322

O=C(Cc1ccc(OCc2nc3cc(F)ccc3s2)cc1)NCl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX5 P09917 9/20 0.48
EPHX2 P34913 7/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CYSLTR1 Q9Y271 5/20 0.44
CYSLTR2 Q9NS75 4/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL8665133 0.92 NPC1 (0.51) PTGER4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8664400 0.88 ALOX5 (0.53) PTGER4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8665633 0.88 NPC1 (0.44) PTGER4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8666250 0.88 PTGER4 (0.54) PTGER4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8663180 0.87 ALDH1A1 (0.47) PTGER4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8663798 0.87 CSNK1D (0.49) NPC1RAB9AKMT2ASMN1; SMN2ALOX5
SCHEMBL8666834 0.87 CSNK1D (0.48) NPC1RAB9AKMT2ASMN1; SMN2ALOX5
SCHEMBL8664253 0.81 SMN1; SMN2 (0.47) NPC1RAB9AKMT2ASMN1; SMN2ALOX5
SCHEMBL8666293 0.81 CSNK1D (0.60) ALDH1A1MAPT
SCHEMBL7543869 0.81 MAPT (0.58) PTGER4NPC1RAB9AKMT2ASMN1; SMN2

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
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed