SCHEMBL8946327

SCHEMBL8946327

Cc1cc2c(c(C)c1O)C[C@H]1c3ccccc3N[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KIF11 P52732 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
NLRP3 Q96P20 1/20 0.32
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8946338 1.00 AURKA (0.41) AURKAAURKBALDH1A1HPGDMAPT
SCHEMBL8946332 1.00 AURKA (0.41) AURKAAURKBALDH1A1HPGDMAPT
SCHEMBL8946425 0.82 AURKA (0.42) AURKAAURKBALDH1A1HPGDMAPT
SCHEMBL8946430 0.82 AURKA (0.42) AURKAAURKBALDH1A1HPGDMAPT
SCHEMBL8946422 0.82 AURKA (0.42) AURKAAURKBALDH1A1HPGDMAPT
SCHEMBL8946459 0.81 HPGD (0.49) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL8946466 0.81 HPGD (0.49) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL9844735 0.75 KDM4E (0.45) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL8946638 0.72 MAPT (0.42) AURKAAURKBALDH1A1HPGDMAPT
SCHEMBL8946631 0.72 MAPT (0.42) AURKAAURKBALDH1A1HPGDMAPT

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
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