SCHEMBL8664162

SCHEMBL8664162

CCNC(=O)Cc1ccc(OCc2nc3cc(OC)ccc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
CSNK1D P48730 3/20 0.48
ROCK2 O75116 2/20 0.47
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
DYRK1A Q13627 3/20 0.46
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
WNT3A P56704 3/20 0.44
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
HPGDS O60760 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL8665353 0.92 CSNK1D (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8664245 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8666250 0.89 PTGER4 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8663798 0.88 CSNK1D (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8668173 0.86 CSNK1D (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8665627 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8668026 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8666293 0.80 CSNK1D (0.60) ALDH1A1MAPTCSNK1DWNT3ACYP3A4
SCHEMBL7548568 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8663180 0.78 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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