SCHEMBL8745948

SCHEMBL8745948

CCNC(=O)OC(c1cnccn1)c1ccccc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 5/20 0.35
MAPK1 P28482 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8745960 0.89 SMN1; SMN2 (0.37) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8745912 0.88 NOTUM (0.40) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8745919 0.87 HPGD (0.41) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8745957 0.87 SMN1; SMN2 (0.36) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8745946 0.84 KDM4E (0.39) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8745939 0.82 SMN1; SMN2 (0.35) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8745943 0.76 NOTUM (0.37) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8828255 0.75 SMN1; SMN2 (0.38) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8745959 0.73 HPGD (0.41) POLBSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL8745913 0.72 NOTUM (0.36) POLBKMT2ASMN1; SMN2KDM4ERAB9A

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-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed