SCHEMBL8946399

SCHEMBL8946399

CCN(CC)c1cc(C)c2c(c1)C1C(N2)c2ccccc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.35
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GRK6 P43250 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8946736 0.77 HTR2A (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8946739 0.77 HTR2A (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8946738 0.77 HTR2A (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8946707 0.72 S100B (0.35) S100B
SCHEMBL8946687 0.72 ALDH1A1 (0.36) S100BMEN1ALDH1A1MAPTKMT2A
SCHEMBL8946675 0.72 ALDH1A1 (0.36) S100BMEN1ALDH1A1MAPTKMT2A
SCHEMBL8946711 0.68 S100B (0.33) S100BMEN1KMT2A
SCHEMBL8946706 0.68 S100B (0.33) S100BMEN1KMT2A
SCHEMBL8946758 0.67 HTR2A (0.37) MEN1KMT2A
SCHEMBL8946755 0.67 HTR2A (0.37) MEN1KMT2A

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 3 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