SCHEMBL21940290

SCHEMBL21940290

Cc1cc(C#N)nnc1N1CC(P(C)(=O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21940582 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21940293 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21940800 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21940802 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21940502 0.69 CTSS (0.38) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL21940787 0.69 CHRM4 (0.35) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL21940294 0.68 LRRK2 (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21940791 0.68 LRRK2 (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21940503 0.67 ALDH1A1 (0.33) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL20606838 0.61 LMNA (0.33) KDM4ELMNA

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
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 EP disclosed