SCHEMBL23329985

SCHEMBL23329985

C/C=C(\C)CNC(=O)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
PLK1 P53350 1/20 0.54
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
MEN1 O00255 1/20 0.51
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.51
SLC6A9 P48067 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51

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
SCHEMBL25062908 0.85 PKM (0.62) PKMNPC1RAB9ACA1CA2
SCHEMBL5857541 0.85 NPC1 (0.65) PKMNPC1RAB9ACA1CA2
SCHEMBL23329444 0.83 CA1 (0.54) PKMNPC1RAB9ACA1CA2
SCHEMBL15595417 0.81 KDM4E (0.70) PKMNPC1RAB9ACA1CA2
SCHEMBL1193504 0.81 NPC1 (0.65) PKMNPC1RAB9ACA1CA2
SCHEMBL2796671 0.81 ALDH1A1 (0.67) PKMNPC1RAB9ACA1CA2
SCHEMBL8598019 0.81 NPC1 (0.69) PKMNPC1RAB9ACA1CA2
SCHEMBL28968582 0.79 NPC1 (0.58) PKMNPC1RAB9ACA1CA2
SCHEMBL16685001 0.79 NPC1 (0.83) PKMNPC1RAB9ACA1CA2
SCHEMBL11668774 0.79 MMP1 (0.68) PKMNPC1RAB9ACA1CA2

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-2021086879-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2021-05-06 WO disclosed