SCHEMBL9809094

SCHEMBL9809094

CCc1c(SS)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.45
POLB P06746 1/20 0.43
ALOX15 P16050 2/20 0.43
PTGS2 P35354 2/20 0.43
BCHE P06276 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 4/20 0.41
CYP1A2 P05177 2/20 0.41
THRB P10828 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 2/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL9809088 0.88 FPR2 (0.47) FPR2POLBALOX15PTGS2BCHE
SCHEMBL9809117 0.81 CYP19A1 (0.45) FPR2POLBALOX15PTGS2BCHE
SCHEMBL9809069 0.80 ALOX15 (0.58) POLBALOX15PTGS2BCHEALDH1A1
SCHEMBL4318567 0.76 FPR2 (0.54) FPR2POLBALOX15PTGS2BCHE
SCHEMBL17035250 0.76 PTGS2 (0.63) FPR2POLBALOX15PTGS2BCHE
SCHEMBL9809104 0.73 TSHR (0.34) POLBALOX15PTGS2BCHEALDH1A1
SCHEMBL9809121 0.73 POLB (0.40) POLBALOX15PTGS2BCHEALDH1A1
SCHEMBL4326513 0.71 POLB (0.44) FPR2POLBALOX15PTGS2BCHE
SCHEMBL23398749 0.70 BCHE (0.54) FPR2POLBALOX15PTGS2BCHE
SCHEMBL13467860 0.70 FPR2 (0.51) FPR2ALOX15ALDH1A1TSHRKMT2A

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
US-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed