SCHEMBL21242740

SCHEMBL21242740

Cc1cc(C(=O)O)ccc1/N=N/c1ccc(NCCNc2ccc(/N=N/c3ccc(C(=O)O)cc3C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
POLB P06746 2/20 0.40
THRB P10828 1/20 0.39
GRM1 Q13255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CD69 Q07108 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
PLK1 P53350 1/20 0.37
ENPP2 Q13822 1/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11523170 0.85 TRPA1 (0.56) TRPA1MEN1KMT2ANPC1POLB
SCHEMBL21242738 0.85 SIRT5 (0.44) TRPA1MEN1KMT2ANPC1POLB
SCHEMBL21242247 0.80 EGFR (0.47) MEN1KMT2ANPC1POLBTHRB
SCHEMBL21242465 0.79 MAPT (0.41) MEN1KMT2ANPC1POLBTHRB
SCHEMBL21242325 0.77 MAPT (0.43) MEN1KMT2ANPC1POLBTDP1
SCHEMBL21242244 0.77 MAPT (0.36) MEN1KMT2ANPC1THRBTDP1
SCHEMBL21466066 0.76 ALDH1A1 (0.45) TRPA1MEN1KMT2ANPC1POLB
SCHEMBL27876820 0.76 MAPT (0.53) TRPA1MEN1KMT2ANPC1POLB
SCHEMBL8513912 0.74 MAPT (0.50) TRPA1MEN1KMT2ANPC1POLB
SCHEMBL8513909 0.74 MAPT (0.50) TRPA1MEN1KMT2ANPC1POLB

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-3412734-B1 DYE COMPOUND, COMPOSITION COMPRISING THE DYE COMPOUND, AND DISPLAY DEVICE USING THE DYE COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2019-08-07 EP disclosed