SCHEMBL9846287

SCHEMBL9846287

CCc1cc(S)c(OC)nc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GRM1 Q13255 4/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CRHR1 P34998 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PGK1 P00558 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL22595837 0.81 POLB (0.35) GAAAPOBEC3AAPOBEC3GGRM1CRHR1
SCHEMBL5701682 0.78 PIK3CA (0.40) GAAAPOBEC3AAPOBEC3GGRM1TAAR1
SCHEMBL9432036 0.78 GAA (0.36) GAAAPOBEC3AAPOBEC3GGRM1POLB
SCHEMBL9432009 0.76 CD274 (0.38) GAAAPOBEC3AAPOBEC3GGRM1TAAR1
SCHEMBL9272505 0.76 PDE4A (0.40) GAAGRM1POLB
SCHEMBL9267418 0.75 ALDH1A1 (0.39) GAAAPOBEC3AAPOBEC3GGRM1L3MBTL1
SCHEMBL9262255 0.74 GAA (0.57) GAAMAPK1SMN1; SMN2POLBL3MBTL1
SCHEMBL9432058 0.74 TAAR1 (0.50) TAAR1
SCHEMBL9058235 0.73 MAPT (0.38) GAAGRM1SMN1; SMN2POLB
SCHEMBL9266046 0.73 GAA (0.52) GAASMN1; SMN2POLBL3MBTL1

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed