SCHEMBL9401378

SCHEMBL9401378

COc1cc(OC)nc(SC(CO)C(C)(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.34
EDNRA P25101 3/20 0.34
CASR P41180 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9401653 0.88 EDNRB (0.42) EDNRBEDNRAMAPTTDP1L3MBTL1
SCHEMBL9401605 0.85 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401350 0.84 EDNRB (0.41) EDNRBEDNRACYP3A4CYP1A2CYP2C9
SCHEMBL9401408 0.83 EDNRB (0.36) EDNRBEDNRACASRCYP3A4CYP2D6
SCHEMBL9401569 0.83 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401423 0.83 ALOX5 (0.32) EDNRBEDNRAL3MBTL1
SCHEMBL9572233 0.83 PTGES (0.40) EDNRBEDNRAMAPT
SCHEMBL9401461 0.83 EDNRB (0.42) EDNRBEDNRASMN1; SMN2
SCHEMBL9401292 0.83 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401625 0.81 NPSR1 (0.34) EDNRBEDNRASMN1; SMN2NPSR1

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