SCHEMBL8946717

SCHEMBL8946717

COc1c(C)cc2c(c1C)C1Cc3ccccc3C1N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
DRD2 P14416 1/20 0.33
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
DYRK1A Q13627 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
ADRB2 P07550 3/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 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
SCHEMBL8946709 1.00 ALDH1A1 (0.39) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946715 1.00 ALDH1A1 (0.39) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946645 0.82 MAPT (0.42) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946638 0.82 MAPT (0.42) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946631 0.82 MAPT (0.42) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946348 0.80 KDM4E (0.33) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946358 0.80 KDM4E (0.33) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946353 0.80 KDM4E (0.33) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946422 0.73 AURKA (0.42) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL8946430 0.73 AURKA (0.42) ALDH1A1MAPK1KDM4ELMNAMAPT

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
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US claimed
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