SCHEMBL9401419

SCHEMBL9401419

COc1cc(OC)nc(SC(C=O)C(C)(C)c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
TNNI3K Q59H18 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
SORT1 Q99523 1/20 0.34
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 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
SCHEMBL9401297 0.88 EDNRB (0.45) EDNRBEDNRA
SCHEMBL9401426 0.87 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9383894 0.87 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401288 0.86 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401404 0.86 NPC1 (0.34) NPC1EDNRBEDNRA
SCHEMBL9401357 0.82 MEN1 (0.35) MEN1KMT2AEDNRBEDNRA
SCHEMBL9401302 0.82 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401457 0.82 EDNRB (0.42) EDNRBEDNRA
SCHEMBL9401362 0.81 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401470 0.80 EDNRB (0.34) EDNRBEDNRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed