SCHEMBL16923965

SCHEMBL16923965

O=C(N[C@H]1CCCc2ccccc21)c1cnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.46
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
AURKA O14965 1/20 0.44
CTSS P25774 1/20 0.43
DRD2 P14416 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
TAS1R2 Q8TE23 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL16923867 0.85 MEN1 (0.51) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL16923861 0.83 TAOK3 (0.47) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL40139 0.82 POLB (0.53) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL16924176 0.81 TAOK3 (0.49) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL16924093 0.81 POLB (0.50) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL16924086 0.80 MEN1 (0.49) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL16923862 0.74 TAOK3 (0.51) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL16924048 0.73 AURKA (0.40) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL16923868 0.71 ALDH1A1 (0.49) TAOK1TAOK3MEN1KMT2APOLB
SCHEMBL40131 0.70 CTSS (0.52) TAOK1TAOK3MEN1KMT2APOLB

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
WO-2015108038-A1 ETHYLENE GLYCOL COMPOUND 第一三共株式会社 2015-07-23 WO disclosed