SCHEMBL9401653

SCHEMBL9401653

COc1cc(OC)nc(SC(CO)C(C)(C)c2ccc(Cl)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.42
EDNRA P25101 4/20 0.42
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9401350 0.89 EDNRB (0.41) EDNRBEDNRACYP1A2CYP2C9CYP2C19
SCHEMBL9401378 0.88 EDNRB (0.34) EDNRBEDNRACYP1A2CYP2C9CYP2C19
SCHEMBL9572233 0.88 PTGES (0.40) EDNRBEDNRAMAPT
SCHEMBL9401461 0.88 EDNRB (0.42) EDNRBEDNRA
SCHEMBL9401423 0.88 ALOX5 (0.32) EDNRBEDNRAL3MBTL1ALDH1A1
SCHEMBL9401292 0.87 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401605 0.87 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401569 0.85 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401481 0.84 CASR (0.35) EDNRBEDNRACYP1A2CYP2C9CYP2C19
SCHEMBL9401408 0.83 EDNRB (0.36) EDNRBEDNRAMEN1KMT2ACYP2D6

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