SCHEMBL11098412

SCHEMBL11098412

NC(=O)c1cnc(F)nc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.37
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PARP1 P09874 5/20 0.35
MAP4K4 O95819 2/20 0.35
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33

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
SCHEMBL11489657 0.79 ALDH1A1 (0.38) JUNNFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL11489660 0.79 NAPRT (0.42) JUNNFKB1NFKB2RELATDP1
SCHEMBL9484721 0.75 TSHR (0.40) JUNNFKB1NFKB2RELA
SCHEMBL10776834 0.71 KDM4E (0.35) JUNNFKB1NFKB2RELATDP1
SCHEMBL2762235 0.68 DGAT1 (0.42) NNMTPARP1MAP4K4SIRT3TDP1
SCHEMBL30641935 0.68 DGAT1 (0.42) NNMTPARP1MAP4K4SIRT3TDP1
SCHEMBL23835352 0.68 NNMT (0.45) NNMTMAP4K4CSF1R
SCHEMBL29920919 0.67 DGAT1 (0.41) NNMTPARP1MAP4K4DGAT1JAK2
SCHEMBL6940087 0.67 GABRP (0.46) NNMTPARP1MAP4K4SIRT3TDP1
SCHEMBL15095256 0.66 SIRT3 (0.43) NNMTPARP1MAP4K4SIRT3TDP1

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
EP-0128316-A1 Reactive disazo dyes BAYER AG (DE) 1984-12-19 EP disclosed
US-4024123-A TEXTILES DUSSY PAUL 1977-05-17 US disclosed