SCHEMBL7057020

SCHEMBL7057020

CCc1c(C)nc(Nc2ccccc2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
NFKB1 P19838 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
LMNA P02545 1/20 0.46
RXRA P19793 1/20 0.46
NR4A2 P43354 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL27854337 0.78 MAPT (0.52) KCNH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL15207017 0.78 KCNH3 (0.51) KCNH3ALDH1A1MAPTNFKB1SMN1; SMN2
SCHEMBL13641358 0.78 NPY5R (0.56) KCNH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL13243789 0.77 KCNH3 (0.57) KCNH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL633400 0.75 MEN1 (0.77) KCNH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL13861627 0.75 NPY5R (0.61) KCNH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL11936604 0.74 MAPT (0.63) KCNH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL115405 0.74 MAPT (0.57) KCNH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL7054908 0.74 MAPT (0.46) KCNH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL7055947 0.74 KCNH3 (0.42) KCNH3ALDH1A1MEN1MAPTKMT2A

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