SCHEMBL8946484

SCHEMBL8946484

CCN(CC)c1cc(C)c2c(c1)[C@@H]1c3ccccc3N[C@]1(C)C2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRK6 P43250 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.32
GFER P55789 1/20 0.31
S1PR1 P21453 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
SCHEMBL8946488 1.00 S100B (0.34) S100BMAPTMEN1KMT2AGAA
SCHEMBL8946476 1.00 S100B (0.34) S100BMAPTMEN1KMT2AGAA
SCHEMBL8946380 0.77 MAOA (0.34) MAPTMEN1KMT2AGAANPC1
SCHEMBL8946378 0.77 MAOA (0.34) MAPTMEN1KMT2AGAANPC1
SCHEMBL8946373 0.77 MAOA (0.34) MAPTMEN1KMT2AGAANPC1
SCHEMBL8946451 0.71 MAPT (0.34) S100BMAPTMEN1KMT2AGAA
SCHEMBL8946454 0.71 MAPT (0.34) S100BMAPTMEN1KMT2AGAA
SCHEMBL8946317 0.65
SCHEMBL8946316 0.65
SCHEMBL8946711 0.62 S100B (0.33) S100BMEN1KMT2AHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed