SCHEMBL8946645

SCHEMBL8946645

Cc1cc2c(c(C)c1O)C1Cc3ccccc3C1N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
F7 P08709 1/20 0.33
PRSS3 P35030 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HSD11B1 P28845 3/20 0.31
CETP P11597 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8946631 1.00 MAPT (0.42) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946638 1.00 MAPT (0.42) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946717 0.82 ALDH1A1 (0.39) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946709 0.82 ALDH1A1 (0.39) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946715 0.82 ALDH1A1 (0.39) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946594 0.80 KDM4E (0.37) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946600 0.80 KDM4E (0.37) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946604 0.80 KDM4E (0.37) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946485 0.75 KDM4E (0.42) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946327 0.72 AURKA (0.41) 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 2 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 disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed