SCHEMBL8946301

SCHEMBL8946301

Cc1ccc2c(c1)[C@@H]1Cc3ccccc3[C@@H]1N2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
KIF11 P52732 1/20 0.43
GAA P10253 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.38
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
PRCP P42785 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL8946299 1.00 KDM4E (0.55) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8946297 1.00 KDM4E (0.55) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8946294 0.82 MAPT (0.50) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8946291 0.82 MAPT (0.50) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL277613 0.82 MAPT (0.50) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8946652 0.82 MAPT (0.55) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8946640 0.82 MAPT (0.55) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8946647 0.82 MAPT (0.55) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8946341 0.81 HPGD (0.78) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8946492 0.81 KDM4E (0.55) KDM4EALDH1A1HPGDLMNAMAPT

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