SCHEMBL8780689

SCHEMBL8780689

ICCOCc1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 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
SCHEMBL7443950 0.80 TSHR (0.35) HDAC8
SCHEMBL11312017 0.77 GRM5 (0.32)
SCHEMBL25337982 0.77 NPC1 (0.46)
Hydrochloric Acid SCHEMBL11317533 0.76 GRM5 (0.31)
SCHEMBL8485997 0.72 ALDH1A1 (0.35)
SCHEMBL13262247 0.71 ALDH1A1 (0.33)
SCHEMBL18265853 0.69 HDAC8 (0.35) HDAC8
SCHEMBL20964349 0.67
SCHEMBL21936377 0.67 POLB (0.38)
SCHEMBL28159746 0.67 ALDH1A1 (0.38)

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-5679684-A INTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS, NERVOUS SYSTEM DISORDERS, AIDS MACRONEX, INC. (US) 1997-10-21 US disclosed
EP-0766691-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1997-04-09 EP disclosed
WO-1995035304-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1995-12-28 WO disclosed