SCHEMBL24326164

SCHEMBL24326164

CNCCCN(CC=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
APP P05067 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
REN P00797 1/20 0.41
ATM Q13315 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PIM1 P11309 1/20 0.40

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
SCHEMBL1239442 0.85 L3MBTL1 (0.55) L3MBTL1MEN1KMT2AHTTSIGMAR1
Hydrochloric Acid SCHEMBL1242121 0.84 MEN1 (0.58) L3MBTL1MEN1KMT2ASIGMAR1APP
SCHEMBL2687056 0.79 SIGMAR1 (0.59) L3MBTL1MEN1KMT2ASIGMAR1APP
SCHEMBL24010593 0.79 HTT (0.51) L3MBTL1MEN1KMT2AHTTHDAC3
SCHEMBL1650495 0.78 CA2 (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL123966 0.76 CA2 (0.45) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL12464629 0.75 CNR2 (0.50) L3MBTL1
SCHEMBL23640939 0.75 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AHTTSIGMAR1
SCHEMBL16081620 0.75 ATM (0.54) L3MBTL1MEN1KMT2AHTTSIGMAR1
SCHEMBL10663744 0.74 GAA (0.40) L3MBTL1KMT2A

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-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed