SCHEMBL19984562

SCHEMBL19984562

Cc1c(Br)ccc2c1NC(=O)c1ccncc1S2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
TGM2 P21980 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH3A1 P30838 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL19984564 0.81 KDM4C (0.37) MAPTL3MBTL1GAAIDO1ALDH1A1
SCHEMBL18666978 0.81 L3MBTL1 (0.51) MAPTTP53TSHRMAPK1BLM
SCHEMBL19984515 0.75 TP53 (0.33) MAPTTP53CYP3A4TSHRMAPK1
SCHEMBL27892040 0.66 ALDH1A1 (0.33) MAPTCYP3A4GAAALDH1A1
SCHEMBL23018616 0.66 L3MBTL1 (0.54) MAPTTP53TSHRMAPK1BLM
SCHEMBL19984493 0.65 HPGD (0.49) MAPTTP53BLMSMN1; SMN2L3MBTL1
SCHEMBL17086268 0.64 TP53 (0.51) MAPTTP53BLMSMN1; SMN2L3MBTL1
SCHEMBL1092103 0.64 CES1 (0.62) CASP7L3MBTL1TGM2ALDH1A1ALDH2
SCHEMBL7220609 0.63 GAA (0.41) MAPTL3MBTL1GAAIDO1
SCHEMBL23018474 0.62 L3MBTL1 (0.49) MAPTTP53CYP3A4TSHRMAPK1

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
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed