SCHEMBL9637289

SCHEMBL9637289

CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#CCO

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
HMGCR P04035 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL8878013 0.85 SQOR (0.53) SQORADORA2AADORA1HMGCRKDM4E
SCHEMBL9636079 0.85 SQOR (0.48) SQORADORA2AADORA1HMGCRKDM4E
SCHEMBL9635988 0.82 SQOR (0.48) SQORADORA2AADORA1HMGCRKDM4E
SCHEMBL9636049 0.82 SQOR (0.51) SQORADORA2AADORA1HMGCRKDM4E
SCHEMBL9636095 0.82 HMGCR (0.41) SQORHMGCRKDM4EALDH1A1LMNA
SCHEMBL8877568 0.79 HMGCR (0.58) HMGCR
SCHEMBL8953118 0.78 HMGCR (0.41) HMGCR
SCHEMBL8953125 0.78 HMGCR (0.41) HMGCR
SCHEMBL8879993 0.78 HMGCR (0.49) SQORADORA2AADORA1HMGCRKDM4E
SCHEMBL10024048 0.77 SQOR (0.48) SQORADORA2AADORA1HMGCRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091386-A Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed