SCHEMBL16655716

SCHEMBL16655716

O=[N+]([O-])c1ccccc1Nc1cc(I)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP7 P55210 1/20 0.50
MAPT P10636 6/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ASPH Q12797 1/20 0.48
KDM8 Q8N371 1/20 0.48
EPAS1 Q99814 1/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
EGFR P00533 1/20 0.45
LMNA P02545 2/20 0.45
MITF O75030 1/20 0.45

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
SCHEMBL4942989 0.83 ALDH1A1 (0.61) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL29744982 0.80 MEN1 (0.71) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL4810409 0.80 MEN1 (0.71) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL28516641 0.75 MAPK10 (0.48) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL7303310 0.75 TDP1 (0.68) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL7778637 0.75 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL16654895 0.74 MAPT (0.55) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL28523405 0.74 EPAS1 (0.52) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL28492301 0.74 MAPK1 (0.58) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL28487623 0.74 L3MBTL1 (0.58) MEN1KMT2AALDH1A1MAPK1TDP1

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-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed