SCHEMBL8946341

SCHEMBL8946341

CC(C)c1ccc2c(c1)[C@@H]1Cc3ccccc3[C@@H]1N2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.78
KDM4E B2RXH2 1/20 0.78
ALDH1A1 P00352 1/20 0.78
LMNA P02545 1/20 0.78
MAPT P10636 1/20 0.78
MAPK1 P28482 1/20 0.78
HTT P42858 1/20 0.78
KIF11 P52732 3/20 0.46
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KMT2A Q03164 1/20 0.32
PRCP P42785 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
F7 P08709 1/20 0.32
PRSS3 P35030 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL8946345 1.00 HPGD (0.78) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946343 1.00 HPGD (0.78) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946299 0.81 KDM4E (0.55) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946297 0.81 KDM4E (0.55) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946301 0.81 KDM4E (0.55) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL277613 0.78 MAPT (0.50) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946291 0.78 MAPT (0.50) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946294 0.78 MAPT (0.50) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946640 0.78 MAPT (0.55) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946647 0.78 MAPT (0.55) HPGDKDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 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