SCHEMBL7052510

SCHEMBL7052510

Cc1nc(Nc2ccccc2)nc(C=[N+](C)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH3 Q9ULD8 4/20 0.40
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
NFKB1 P19838 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.38
USP2 O75604 1/20 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
SCHEMBL7054908 0.80 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7052514 0.75 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7052508 0.75 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL13641358 0.72 NPY5R (0.56) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7057020 0.68 KCNH3 (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL10697527 0.67 PDE4B (0.48) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7059634 0.67 NEK2 (0.52) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL633400 0.66 MEN1 (0.77) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL13861627 0.66 NPY5R (0.61) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL115405 0.65 MAPT (0.57) MAPTMEN1KMT2ASMN1; SMN2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562833-B1 Treating the fungi or the plants, seeds, material or the soil to be protected against fungal infection with a fungicidally effective amount of at least one 2-(N-phenylamino)pyrimidine BASF AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
EP-1085807-B1 USE OF 2-(N-PHENYLAMINO)PYRIMIDINES AS FUNGICIDES, AND NOVEL 2-(N-PHENYLAMINO)PYRIMIDINES BASF AG (DE) 2003-05-07 EP disclosed