SCHEMBL14257595

SCHEMBL14257595

C=C(/C=C/c1cccc(F)c1N)OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
MAOB P27338 2/20 0.38
NFE2L2 Q16236 8/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 4/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
PTGS2 P35354 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EGFR P00533 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
SCHEMBL2149382 0.81 KDM4E (0.46) MCL1MAOBNFE2L2KDM4EMEN1
SCHEMBL27647189 0.81 KDM4E (0.46) MCL1MAOBNFE2L2KDM4EMEN1
SCHEMBL30578183 0.81 KDM4E (0.46) MCL1MAOBNFE2L2KDM4EMEN1
SCHEMBL14257702 0.77 NFE2L2 (0.40) MAOBNFE2L2KDM4EMEN1KMT2A
SCHEMBL5388851 0.73 CA1 (0.50) MAOBKDM4EMAPTSMN1; SMN2
SCHEMBL5388848 0.73 CA1 (0.50) MAOBKDM4EMAPTSMN1; SMN2
SCHEMBL19443779 0.72 NFE2L2 (0.43) NFE2L2RELA
SCHEMBL13176644 0.71 NFE2L2 (0.41) NFE2L2KDM4EMEN1KMT2ARAB9A
SCHEMBL13887136 0.68 NFE2L2 (0.41) MAOBNFE2L2
SCHEMBL15919101 0.66 ABCB1 (0.36) KDM4EEGFR

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-1625129-B1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2008-03-05 EP disclosed