SCHEMBL23032115

SCHEMBL23032115

N/C=N\N=C(/N)c1ccc(CNC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 3/20 0.54
CYP3A4 P08684 1/20 0.51
MAPK14 Q16539 1/20 0.51
CXCR4 P61073 1/20 0.49
EPHX2 P34913 2/20 0.46
PPARG P37231 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KLKB1 P03952 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL23031878 0.86 LMNA (0.44) L3MBTL1LMNACYP3A4MEN1ALDH1A1
SCHEMBL24529806 0.84 ALOX15 (0.45) L3MBTL1CYP3A4EPHX2KLKB1
SCHEMBL22044273 0.81 GRIN2B (0.44) SMN1; SMN2KMT2A
SCHEMBL6077802 0.81 L3MBTL1 (0.77) L3MBTL1LMNACYP3A4MAPK14CXCR4
SCHEMBL24529733 0.80 CA1 (0.43) L3MBTL1CA1CA2MEN1ALDH1A1
SCHEMBL24529763 0.79 ALOX15 (0.42) L3MBTL1EPHX2NR1H4CA1CA2
SCHEMBL24529731 0.79 KMT2A (0.48) L3MBTL1LMNACYP3A4SMN1; SMN2KMT2A
SCHEMBL25666366 0.78 HDAC1 (0.52) L3MBTL1CYP3A4EPHX2ALDH1A1
SCHEMBL19630565 0.77 EPHX2 (0.68) L3MBTL1LMNACYP3A4MAPK14CXCR4
SCHEMBL23032004 0.76 NSD2 (0.55) MEN1ALDH1A1KMT2A

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-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 WO disclosed