SCHEMBL9401337

SCHEMBL9401337

COc1cc(OC)nc(SC(C=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDH1 O75874 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9572237 0.87 EDNRB (0.36) EDNRBEDNRACYP1A2CYP2C9CYP2C19
SCHEMBL9401354 0.86 GAA (0.39) EDNRBEDNRACYP1A2L3MBTL1SMN1; SMN2
SCHEMBL9401376 0.86 L3MBTL1 (0.34) CYP1A2NPSR1L3MBTL1LMNASMN1; SMN2
SCHEMBL9401440 0.86 PTGES (0.40) EDNRBEDNRAKMT2A
SCHEMBL9401330 0.85 AOC3 (0.36)
SCHEMBL9401343 0.84 TP53 (0.33) EDNRBEDNRACYP1A2
SCHEMBL9401309 0.83 PTGES (0.39)
SCHEMBL9401310 0.83 EDNRB (0.36) EDNRBEDNRAMEN1KMT2ACYP1A2
SCHEMBL9401586 0.83 PTGES (0.39) EDNRBEDNRA
SCHEMBL9401325 0.83 HTT (0.36) EDNRBEDNRAMEN1KMT2AIDH1

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