SCHEMBL9401481

SCHEMBL9401481

COc1cc(OC)nc(SC(CO)C(C)(C)c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
RECQL P46063 1/20 0.31
IDH1 O75874 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CCR4 P51679 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9401625 0.87 NPSR1 (0.34) EDNRBEDNRASMN1; SMN2
SCHEMBL9401653 0.84 EDNRB (0.42) TDP1MAPTALDH1A1EDNRBEDNRA
SCHEMBL9401605 0.81 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401378 0.80 EDNRB (0.34) CASRTDP1HPGDMAPTEDNRB
SCHEMBL9401390 0.79 EDNRB (0.33) CASRTDP1HPGDMAPTALDH1A1
SCHEMBL9401429 0.79 EDNRB (0.34) EDNRBEDNRAGAA
SCHEMBL9401469 0.79 CTSA (0.35) CASRALDH1A1EDNRBEDNRA
SCHEMBL9401601 0.78 EDNRB (0.44) EDNRBEDNRACYP1A2
SCHEMBL9401284 0.78 ALDH1A1 (0.34) ALDH1A1EDNRBEDNRAL3MBTL1
SCHEMBL9572232 0.78 EDNRB (0.35) ALDH1A1EDNRBEDNRAGAA

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