SCHEMBL9564940

SCHEMBL9564940

Cc1ccc(NC(=O)Oc2cnc(Cl)nc2C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 10/20 0.43
ATF1 P18846 9/20 0.43
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XPO1 O14980 3/20 0.41
JUN P05412 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9564872 0.82 MEN1 (0.49) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9564908 0.79 NFKB1 (0.63) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL9564867 0.78 ATF1 (0.48) NFKB1ATF1MAPTTP53XPO1
SCHEMBL27471255 0.74 NFKB1 (0.46) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL3129046 0.72 XPO1 (0.48) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL2481483 0.72 NFKB1 (0.46) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL9564837 0.70 NFKB1 (0.54) NFKB1ATF1MAPTSMN1; SMN2XPO1
SCHEMBL9565061 0.70 NFKB1 (0.48) NFKB1ATF1RAB9AMAPTSMN1; SMN2
SCHEMBL2089909 0.69 HPGD (0.70) RAB9AMAPTTP53SMN1; SMN2MEN1
SCHEMBL9564818 0.69 NFKB1 (0.40) NFKB1ATF1XPO1JUNNFKB2

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-0569912-A1 4-alkyl-substituted pyrimidine-5-carboxanilides, process for their preparation, compositions containing them and their use as fungicides Hoechst Schering AgrEvo GmbH (DE) 1993-11-18 EP disclosed