SCHEMBL8901369

SCHEMBL8901369

CC1(C)COC(c2ccc(-c3ccc4c[c]ccc4c3)cc2)=N1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
CYP2D6 P10635 1/20 0.40
ABL1 P00519 1/20 0.34
IL2 P60568 1/20 0.33
ATM Q13315 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 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
SCHEMBL8901428 0.80 ESR1 (0.50) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20410523 0.79 KDM4E (0.50) KDM4EHTTLMNAMAPTHRH3
SCHEMBL8488526 0.78 KDM4E (0.51) KDM4EHTTLMNAMAPTHRH3
SCHEMBL8911222 0.77 KDM4E (0.43) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20409590 0.76 KDM4E (0.53) KDM4EHTTLMNAMAPTHRH3
SCHEMBL471858 0.76 KDM4E (0.60) KDM4EHTTLMNAMAPTHRH3
SCHEMBL8900361 0.73 HRH3 (0.43) KDM4EHTTLMNAMAPTHRH3
SCHEMBL4027768 0.73 LMNA (0.48) KDM4EHTTLMNAMAPTHRH3
SCHEMBL4794728 0.73 KDM4E (0.50) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20409698 0.73 KDM4E (0.42) KDM4EHTTLMNAMAPTHRH3

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 4 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
US-5602104-A SKIN DISORDERS, CONJUNCTIVE TISSUE DISORDERS, ANTITUMOR AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-02-11 US disclosed
US-5434180-A Skin disorders; retinoid activity; rheumatoid psoriasis; CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-07-18 US disclosed
US-5124473-A Skin disorders; antiinflammatory agents, antiallergens CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-06-23 US disclosed