SCHEMBL8946422

SCHEMBL8946422

COc1c(C)cc2c(c1C)C[C@H]1c3ccccc3N[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
KIF11 P52732 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HNF4A P41235 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL8946430 1.00 AURKA (0.42) AURKAAURKBMAPTALDH1A1KDM4E
SCHEMBL8946425 1.00 AURKA (0.42) AURKAAURKBMAPTALDH1A1KDM4E
SCHEMBL8946573 0.85 MAPT (0.37) AURKAAURKBMAPTALDH1A1HPGD
SCHEMBL8946565 0.85 MAPT (0.37) AURKAAURKBMAPTALDH1A1HPGD
SCHEMBL8946568 0.85 MAPT (0.37) AURKAAURKBMAPTALDH1A1HPGD
SCHEMBL8946482 0.82 HPGD (0.45) MAPTALDH1A1KDM4EHPGDMAPK1
SCHEMBL8946962 0.82 HPGD (0.45) MAPTALDH1A1KDM4EHPGDMAPK1
SCHEMBL8946958 0.82 HPGD (0.45) MAPTALDH1A1KDM4EHPGDMAPK1
SCHEMBL8946338 0.82 AURKA (0.41) AURKAAURKBMAPTALDH1A1KDM4E
SCHEMBL8946327 0.82 AURKA (0.41) AURKAAURKBMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
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