SCHEMBL13636405

SCHEMBL13636405

C/C(=N\O)c1ccc(C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA9 Q16790 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
CSNK2A1 P68400 1/20 0.34
CPS1 P31327 2/20 0.33
NFE2L2 Q16236 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL19449734 0.84 CPS1 (0.36) ESR1ESR2MGLLMEN1KMT2A
SCHEMBL24445679 0.82 CES2 (0.52) ESR1ESR2MGLLMEN1KMT2A
SCHEMBL21882640 0.79 MAPT (0.40) MEN1KMT2ALOXL2KDM4EMAPT
SCHEMBL17133958 0.79 MEN1 (0.43) ESR1ESR2MGLLMEN1KMT2A
SCHEMBL15761201 0.79 MEN1 (0.43) ESR1ESR2MGLLMEN1KMT2A
SCHEMBL8903721 0.79 KMT2A (0.47) ESR1ESR2MGLLMEN1KMT2A
SCHEMBL10147452 0.79 KMT2A (0.47) ESR1ESR2MGLLMEN1KMT2A
SCHEMBL18502966 0.78 MEN1 (0.35) ESR1ESR2MGLLMEN1KMT2A
SCHEMBL17730395 0.78 GAA (0.42) KMT2ALOXL2CSNK2A1MAPT
SCHEMBL17737798 0.78 GAA (0.42) KMT2ALOXL2CSNK2A1MAPT

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-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed