SCHEMBL21077993

SCHEMBL21077993

CC(C)CC(=O)N1CC=C(I)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.42
NAMPT P43490 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.40
CNR1 P21554 1/20 0.39
PKM P14618 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL21078097 0.84 MEN1 (0.40) NAMPTALDH1A1KMT2AMEN1CNR1
SCHEMBL14243055 0.82 ATM (0.46) POLBNAMPTL3MBTL1NPSR1ATM
SCHEMBL17886549 0.79 POLB (0.41) POLBNAMPTL3MBTL1NPSR1ATM
SCHEMBL21077998 0.79 NAMPT (0.45) POLBNAMPTL3MBTL1ALDH1A1KMT2A
SCHEMBL21078125 0.78 NAMPT (0.43) NAMPTNPSR1ALDH1A1NPC1RAB9A
SCHEMBL21077810 0.78 MEN1 (0.45) NAMPTATMALDH1A1KMT2AMEN1
SCHEMBL21077807 0.77 GRM1 (0.44) NAMPTKMT2AMEN1CNR1
SCHEMBL21077916 0.77 MEN1 (0.40) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL21077861 0.76 NAMPT (0.43) NAMPTKMT2AMEN1CNR1
SCHEMBL21077996 0.76 L3MBTL1 (0.45) POLBNAMPTL3MBTL1KMT2AMEN1

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed