SCHEMBL22341306

SCHEMBL22341306

O=C(O)N(CCl)C1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PYGL P06737 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NSD2 O96028 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL22341250 0.84
SCHEMBL22341297 0.82 PIK3CD (0.42) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL22341312 0.78
SCHEMBL22341353 0.76 AGER (0.38) NPC1RAB9AMEN1KMT2A
SCHEMBL22341270 0.74 AGER (0.41) NPC1RAB9AMEN1KMT2A
SCHEMBL17791683 0.72 AGER (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL12987147 0.72 AGER (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL1334700 0.72 FNTA (0.41) MEN1KMT2AHDAC1
SCHEMBL23795105 0.71 NPC1 (0.41) PIK3CDNPC1RAB9AMEN1KMT2A
SCHEMBL3707642 0.71 NPC1 (0.41) PIK3CDNPC1RAB9AMEN1KMT2A

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-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed