SCHEMBL7052514

SCHEMBL7052514

CON=Cc1nc(Nc2ccccc2)nc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
DDX3X O00571 1/20 0.43
KCNH3 Q9ULD8 6/20 0.42
GAA P10253 2/20 0.40
NFKB1 P19838 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL7052508 1.00 MAPT (0.45) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7054908 0.81 MAPT (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7052510 0.75 MAPT (0.41) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL13641358 0.73 NPY5R (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7057020 0.69 KCNH3 (0.50) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL10697527 0.68 PDE4B (0.48) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7059634 0.68 NEK2 (0.52) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL633400 0.67 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL13861627 0.67 NPY5R (0.61) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL115405 0.66 MAPT (0.57) MAPTMEN1KMT2AALDH1A1MAPK1

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