SCHEMBL8664245

SCHEMBL8664245

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 7/20 0.43
EPHX2 P34913 7/20 0.43
TRPV1 Q8NER1 1/20 0.43
PTGER4 P35408 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DYRK1A Q13627 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
CSNK1D P48730 1/20 0.40

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
SCHEMBL8665627 0.92 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8664162 0.90 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8666250 0.89 PTGER4 (0.54) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8663180 0.88 ALDH1A1 (0.47) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8668173 0.86 CSNK1D (0.49) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8665353 0.83 CSNK1D (0.59) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8668026 0.82 NPC1 (0.49) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8664253 0.80 SMN1; SMN2 (0.47) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL7543452 0.78 NPC1 (0.58) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8663798 0.78 CSNK1D (0.49) NPC1RAB9AMAPTALDH1A1MEN1

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