SCHEMBL21737314

SCHEMBL21737314

COc1cc(S)c(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

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
SCHEMBL364584 0.77 NNMT (0.50) NNMTMAPTMEN1KMT2AGABRG2
SCHEMBL29907269 0.77 NNMT (0.50) NNMTMAPTMEN1KMT2AGABRG2
SCHEMBL3573917 0.77 AXL (0.42) NNMTMAPTGABRG2GABRB3GABRA5
SCHEMBL17160955 0.75 NNMT (0.37) NNMTMAPTMEN1KMT2AGABRG2
SCHEMBL20606492 0.75 NNMT (0.37) NNMTMAPTMEN1KMT2AGABRG2
SCHEMBL319597 0.75 POLB (0.42) NNMTMAPTMEN1KMT2AGABRG2
SCHEMBL22448813 0.75 NNMT (0.41) NNMTMAPTMEN1KMT2AGABRG2
SCHEMBL31180482 0.75 POLB (0.42) NNMTMAPTMEN1KMT2AGABRG2
SCHEMBL676674 0.75 NNMT (0.37) NNMTMAPTMEN1KMT2AGABRG2
SCHEMBL677094 0.75 MEN1 (0.43) NNMTMAPTMEN1KMT2AGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed