SCHEMBL11208617

SCHEMBL11208617

CCc1cccc2c1C(=O)c1ccccc1C2=O.CCc1cccc2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
MAPK1 P28482 5/20 0.35
EGFR P00533 4/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
PABPC1 P11940 2/20 0.34
RAB9A P51151 2/20 0.34
NSD2 O96028 1/20 0.34
MAOA P21397 3/20 0.33
MEN1 O00255 2/20 0.33
PNMT P11086 1/20 0.33
ADORA2A P29274 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
DNMT1 P26358 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL166481 0.86 PNMT (0.36) PNMT
Anthraquinone SCHEMBL3693138 0.76 MAOA (0.57) MAPTMAPK1LMNAKMT2AALDH1A1
SCHEMBL83136 0.76 ADORA2A (0.53) MAPTMAPK1EGFRLMNAKMT2A
SCHEMBL2401855 0.75 PNMT (0.34) MAPK1LMNAPNMTDRD2
SCHEMBL17800206 0.75 MAOA (0.42) MAPTMAPK1EGFRLMNAKMT2A
SCHEMBL1554116 0.74 GABRA1 (0.39) PNMT
SCHEMBL7158739 0.74 SRC (0.31)
SCHEMBL2419729 0.73 LIPG (0.33) ALDH1A1PNMTDRD2
SCHEMBL7053133 0.73 PNMT (0.33) PNMT
SCHEMBL16553253 0.73 NPC1 (0.63) MAPTMAPK1LMNAKMT2AALDH1A1

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-0081323-A1 Curable ink or paint containing electrically conductive metal particles JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1983-06-15 EP disclosed