SCHEMBL8686158

SCHEMBL8686158

COc1ccc2c(C(=S)Oc3ccc(F)cc3)c3ccccc3nc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
NQO2 P16083 3/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7030411 0.81 SCN9A (0.43) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL7756508 0.81 KMT2A (0.46) MAPTALDH1A1POLBNPC1NQO2
SCHEMBL8330737 0.80 MEN1 (0.40) MAPTALDH1A1POLBNPC1TOP2A
SCHEMBL7027183 0.76 POLB (0.51) MAPTALDH1A1POLBNPC1NQO2
SCHEMBL6931307 0.73 MAPT (0.43) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL8333201 0.73 POLB (0.52) MAPTALDH1A1POLBNPC1NQO2
SCHEMBL8686420 0.72 ALDH1A1 (0.41) MAPTALDH1A1POLBNPC1NQO2
SCHEMBL7756511 0.71 KDM4E (0.48) MAPTALDH1A1POLBNPC1NQO2
SCHEMBL6930359 0.68 MAOA (0.43) MAPTALDH1A1POLBNPC1NQO2
SCHEMBL7757071 0.67 ESR1 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-5723295-A MULTISTAGE CHEMILUMINESCENT ASSAY WITH PEROXIDASE ENZYME, PH ADJUSTMENT LUMIGEN, INC. (US) 1998-03-03 US disclosed
US-5670644-A CHEMILUMINESCENT REACTIONS, PEROXIDASE AND PH FOR IMMUNOASSAY LUMIGEN, INC. (US) 1997-09-23 US disclosed