SCHEMBL4380848

SCHEMBL4380848

C=C(C)C(=O)Nc1cccc(N=NC(C(C)=O)C(=O)Nc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
JAK3 P52333 2/20 0.36
GPR35 Q9HC97 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL2630510 0.84 MAPT (0.53) TDP1MAPTALDH1A1LMNAGAA
SCHEMBL269514 0.84 MAPT (0.53) TDP1MAPTALDH1A1LMNAGAA
SCHEMBL14690307 0.81 TDP1 (0.66) TDP1MAPTALDH1A1RXFP1KDM4E
SCHEMBL13044953 0.78 MAPT (0.44) MAPTALDH1A1LMNAGAAATM
SCHEMBL2630513 0.77 MAPT (0.49) TDP1MAPTALDH1A1LMNAGAA
SCHEMBL13960325 0.77 MAPT (0.49) TDP1MAPTALDH1A1LMNAGAA
SCHEMBL14181489 0.76 MAPT (0.48) TDP1MAPTALDH1A1LMNAGAA
SCHEMBL14841988 0.76 MAPT (0.51) MAPTALDH1A1LMNAGAAATM
SCHEMBL1014210 0.75 TRPA1 (0.49) MAPTALDH1A1LMNAGAAATM
SCHEMBL1014211 0.75 TRPA1 (0.49) MAPTALDH1A1LMNAGAAATM

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-1904592-B1 PHENYLAZO-ACETOACETANILIDE DERIVATIVES WITH A POLYMER! ZABLE FUNCTIONAL GROUP AND RELATED COMPOUNDS AS MONOMERS FOR PREPARING POLYMERIC PIGMENT DISPERSANTS FOR INKJET INKS AGFA GRAPHICS NV (BE) 2009-11-25 EP disclosed