SCHEMBL16623545

SCHEMBL16623545

N=C(c1csc(C(N)=O)c1)c1c(Nc2ccccc2F)c(Br)c[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
CASP6 P55212 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLAU P00749 1/20 0.32
CSF1R P07333 1/20 0.32
HTT P42858 2/20 0.31
MAPK14 Q16539 1/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL16726670 0.91
SCHEMBL16623544 0.79 MEN1 (0.32) MEN1KMT2AMAPK14
SCHEMBL16726647 0.79
SCHEMBL16623505 0.76
SCHEMBL16728900 0.72
SCHEMBL16623453 0.70 EGFR (0.31)
SCHEMBL16623533 0.70 F10 (0.34)
SCHEMBL16623518 0.69 KMT2A (0.31) KMT2A
SCHEMBL16726667 0.68 HPGD (0.31) MEN1KMT2AHTT
SCHEMBL16623504 0.68 EGFR (0.43) MAPTMEN1KMT2APOLBGAA

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-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed