SCHEMBL17685405

SCHEMBL17685405

CC(CO)n1ccnc1.Cc1nccn1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP17A1 P05093 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9459746 0.82
SCHEMBL9459911 0.82
SCHEMBL3307573 0.82
SCHEMBL28138468 0.76 KDM4E (0.42) KDM4ECYP19A1KMT2ACYP17A1
1-Methylimidazole SCHEMBL8078082 0.72 QPCT (0.60) CYP19A1KMT2AHTT
Methyl Alcohol SCHEMBL28649922 0.71
SCHEMBL15149 0.71
SCHEMBL16694847 0.71
Hydrochloric Acid SCHEMBL820275 0.69
Bromide SCHEMBL8202839 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106415-B1 TERTIARY AMINES BLOCKED WITH POLYMER ACIDS HUNTSMAN PETROCHEMICAL LLC (US) 2016-04-20 EP claimed
EP-2106415-B1 TERTIARY AMINES BLOCKED WITH POLYMER ACIDS HUNTSMAN PETROCHEMICAL LLC (US) 2016-04-20 EP disclosed