SCHEMBL8668173

SCHEMBL8668173

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.49
EPHX2 P34913 1/20 0.47
PPARD Q03181 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
AKR1B1 P15121 5/20 0.47
ALOX5AP P20292 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DYRK1A Q13627 1/20 0.44
LIPG Q9Y5X9 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PTGER4 P35408 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL8666834 0.88 CSNK1D (0.48) CSNK1DEPHX2PPARDNPC1RAB9A
SCHEMBL8666250 0.87 PTGER4 (0.54) EPHX2NPC1RAB9AMEN1ALDH1A1
SCHEMBL8664245 0.86 NPC1 (0.50) CSNK1DEPHX2NPC1RAB9AMEN1
SCHEMBL8664162 0.86 NPC1 (0.51) CSNK1DEPHX2NPC1RAB9AMEN1
SCHEMBL8668026 0.81 NPC1 (0.49) CSNK1DEPHX2NPC1RAB9AMEN1
SCHEMBL8665627 0.80 NPC1 (0.50) CSNK1DEPHX2NPC1RAB9AMEN1
SCHEMBL7548708 0.80 DYRK1A (0.58) CSNK1DEPHX2NPC1RAB9AAKR1B1
SCHEMBL8665353 0.80 CSNK1D (0.59) CSNK1DNPC1RAB9AMEN1ALDH1A1
SCHEMBL7542888 0.76 DYRK1A (0.53) EPHX2PPARDNPC1RAB9AAKR1B1
SCHEMBL7541581 0.75 ALOX5 (0.57) EPHX2PPARDNPC1RAB9AAKR1B1

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