SCHEMBL8911222

SCHEMBL8911222

CC1(C)COC(c2ccc(-c3ccc4cc(C(C)(C)C)ccc4c3)cc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
CYP2D6 P10635 1/20 0.41
ABL1 P00519 1/20 0.34
IL2 P60568 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
XDH P47989 1/20 0.33
KIF11 P52732 2/20 0.33

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
SCHEMBL707643 0.85 KDM4E (0.49) KDM4ELMNAMAPTHTTHRH3
SCHEMBL8901428 0.81 ESR1 (0.50) KDM4ELMNAMAPTHTTHRH3
SCHEMBL20410523 0.80 KDM4E (0.50) KDM4ELMNAMAPTHTTHRH3
SCHEMBL8900361 0.80 HRH3 (0.43) KDM4ELMNAMAPTHTTHRH3
SCHEMBL20409590 0.77 KDM4E (0.53) KDM4ELMNAMAPTHTTHRH3
SCHEMBL8901369 0.77 KDM4E (0.42) KDM4ELMNAMAPTHTTHRH3
SCHEMBL471858 0.77 KDM4E (0.60) KDM4ELMNAMAPTHTTHRH3
SCHEMBL2678996 0.77 KDM4E (0.46) KDM4ELMNAMAPTHTTHRH3
SCHEMBL14351661 0.76 KDM4E (0.45) KDM4ELMNAMAPTHTTHRH3
SCHEMBL954192 0.75 LMNA (0.48) KDM4ELMNAMAPTHTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686586-A Polycyclic aromatic derivatives, process for preparing the same and pharmaceutical and cosmetic compositions containing the same CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-11 US disclosed
EP-0210929-B1 AROMATIC POLYCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL AND COSMETIC USE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1992-06-03 EP disclosed
EP-0210929-A2 Aromatic polycyclic derivatives, process for their preparation and their pharmaceutical and cosmetic use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1987-02-04 EP disclosed