SCHEMBL9636049

SCHEMBL9636049

COC(=O)C#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
KMT2A Q03164 1/20 0.45
HMGCR P04035 2/20 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
SCHEMBL9636079 0.90 SQOR (0.48) SQORKDM4EALDH1A1LMNAHPGD
SCHEMBL9637289 0.82 SQOR (0.49) SQORKDM4EALDH1A1LMNAHPGD
SCHEMBL9635988 0.81 SQOR (0.48) SQORKDM4EALDH1A1LMNAHPGD
SCHEMBL9636004 0.81 KDM4E (0.49) SQORKDM4EALDH1A1LMNAHPGD
SCHEMBL8878013 0.79 SQOR (0.53) SQORKDM4EALDH1A1LMNAHPGD
SCHEMBL8877064 0.79 SQOR (0.43) SQORKDM4EALDH1A1LMNAHPGD
SCHEMBL10345723 0.77
SCHEMBL8953110 0.77
SCHEMBL8879993 0.77 HMGCR (0.49) SQORKDM4EALDH1A1LMNAHPGD
SCHEMBL8877339 0.76 SQOR (0.40) SQOR

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