SCHEMBL8946378

SCHEMBL8946378

COc1cc(C)c2c(c1)[C@@H]1c3ccccc3N[C@]1(C)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GID4 Q8IVV7 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
SCHEMBL8946373 1.00 MAOA (0.34) MAOAALDH1A1MAPTNPC1RAB9A
SCHEMBL8946380 1.00 MAOA (0.34) MAOAALDH1A1MAPTNPC1RAB9A
SCHEMBL8946476 0.77 S100B (0.34) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL8946488 0.77 S100B (0.34) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL8946484 0.77 S100B (0.34) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL8946478 0.69 MAPT (0.35) MAOAALDH1A1MAPTMEN1KMT2A
SCHEMBL8946486 0.69 MAPT (0.35) MAOAALDH1A1MAPTMEN1KMT2A
SCHEMBL8946494 0.69 MAPT (0.35) MAOAALDH1A1MAPTMEN1KMT2A
SCHEMBL8946317 0.68
SCHEMBL8946316 0.68

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
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed