SCHEMBL29696296

SCHEMBL29696296

COc1ccc(N=C=S)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
MIF P14174 2/20 0.42
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
NAAA Q02083 7/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL1868513 1.00 APLNR (0.42) APLNRMIFGABRPGABRDGABRA1
SCHEMBL14058771 0.74 PLAU (0.56) APLNRMIFGABRPGABRDGABRA1
SCHEMBL23804264 0.73 APLNR (0.39) APLNRMIFGABRPGABRDGABRA1
SCHEMBL4059428 0.73 MAPK1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL20862044 0.73 NAAA (0.48) MIFNAAA
SCHEMBL4474826 0.73 CYP19A1 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL6902852 0.72 ADRA2A (0.50) APLNRMIFGABRPGABRDGABRA1
SCHEMBL5801527 0.72 ADRA2A (0.50) APLNRMIFGABRPGABRDGABRA1
SCHEMBL32681547 0.72 MIF (0.45) MIF
SCHEMBL557613 0.72 PDGFRB (0.48) MAPTHPGDSEGFR

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-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed