SCHEMBL22849035

SCHEMBL22849035

CN(N)c1ccccccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
AOC3 Q16853 7/20 0.46
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FAAH O00519 1/20 0.41
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL734566 1.00
SCHEMBL788 1.00
Hydrochloric Acid SCHEMBL27385408 0.97 MEN1 (0.46) MEN1KMT2AHTTCA12CA1
Hydrochloric Acid SCHEMBL1500348 0.97 MEN1 (0.46) MEN1KMT2AHTTCA12CA1
SCHEMBL31411200 0.97 MEN1 (0.46) MEN1KMT2AHTTCA12CA1
Hydrochloric Acid SCHEMBL28013356 0.94 MEN1 (0.44) MEN1KMT2AHTTCA12CA1
Acetic Acid SCHEMBL28079072 0.87 NPSR1 (0.46) MEN1KMT2AHTTCA12CA1
Sulfuric Acid SCHEMBL8572112 0.85 CA12 (0.52) MEN1KMT2AHTTCA12CA1
Methanesulfonamide SCHEMBL9725954 0.85 CA2 (0.57) MEN1KMT2AHTTCA12CA1
Formic Acid SCHEMBL27578333 0.85 KMT2A (0.43) MEN1KMT2AHTTCA12CA1

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-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed