SCHEMBL8946368

SCHEMBL8946368

COc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HTR2A P28223 2/20 0.46
DRD1 P21728 2/20 0.40
GID4 Q8IVV7 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
PRSS3 P35030 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8946374 1.00 MAPT (0.52) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946364 1.00 MAPT (0.52) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL10381583 0.86 ALDH1A1 (0.42) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946297 0.81 KDM4E (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946299 0.81 KDM4E (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946301 0.81 KDM4E (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL10380873 0.80 HPGD (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL277613 0.78 MAPT (0.50) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946291 0.78 MAPT (0.50) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946294 0.78 MAPT (0.50) MAPTKDM4EALDH1A1LMNAHPGD

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 7 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
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