SCHEMBL16924176

SCHEMBL16924176

O=C(N[C@H]1CCCc2ccccc21)c1ccnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAOK3 Q9H2K8 2/20 0.49
TAOK1 Q7L7X3 1/20 0.49
POLB P06746 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CTSS P25774 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 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
SCHEMBL40139 0.87 POLB (0.53) TAOK3TAOK1POLBMEN1KMT2A
SCHEMBL16924178 0.86 TAS1R3 (0.52) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL16923867 0.85 MEN1 (0.51) TAOK3TAOK1POLBMEN1KMT2A
SCHEMBL16923851 0.84 KMT2A (0.52) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL16924078 0.82 POLB (0.49) TAOK3TAOK1POLBMEN1KMT2A
SCHEMBL16923911 0.81 POLB (0.51) TAOK3TAOK1POLBMEN1KMT2A
SCHEMBL16924093 0.81 POLB (0.50) TAOK3TAOK1POLBMEN1KMT2A
SCHEMBL16923965 0.81 TAOK1 (0.47) TAOK3TAOK1POLBMEN1KMT2A
SCHEMBL16923861 0.81 TAOK3 (0.47) TAOK3TAOK1POLBMEN1KMT2A
SCHEMBL16924086 0.80 MEN1 (0.49) TAOK3TAOK1POLBMEN1KMT2A

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