SCHEMBL21077996

SCHEMBL21077996

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAMPT P43490 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
GNAI3 P08754 2/20 0.40
GNAI1 P63096 2/20 0.40
GPR183 P32249 1/20 0.39
GNAO1 P09471 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21077998 0.90 NAMPT (0.45) L3MBTL1MEN1KMT2ATDP1NAMPT
SCHEMBL21077810 0.83 MEN1 (0.45) MEN1KMT2ATDP1NAMPTNPC1
SCHEMBL17888227 0.83 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ATDP1NAMPT
SCHEMBL17886547 0.80 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATDP1NAMPT
SCHEMBL21077809 0.80 MEN1 (0.40) MEN1KMT2ANAMPT
SCHEMBL21078097 0.80 MEN1 (0.40) MEN1KMT2ANAMPT
SCHEMBL21078127 0.77 MEN1 (0.40) MEN1KMT2ANAMPT
SCHEMBL21077850 0.77 JAK1 (0.48) MEN1KMT2ANPC1
SCHEMBL21077807 0.76 GRM1 (0.44) MEN1KMT2ANAMPT
SCHEMBL21077993 0.76 POLB (0.42) L3MBTL1MEN1KMT2ANAMPTPOLB

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