SCHEMBL13636390

SCHEMBL13636390

CC/C(=N\O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ATM Q13315 3/20 0.45
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.39
CTBP2 P56545 1/20 0.37
PKM P14618 2/20 0.37
HPGD P15428 1/20 0.37
NLRP1 Q9C000 1/20 0.37

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
SCHEMBL8910598 1.00 GAA (0.52) GAAKMT2AMEN1ATMNPSR1
SCHEMBL6562182 0.83 GAA (0.46) GAAKMT2AMEN1MAPTTHRB
SCHEMBL6562185 0.83 GAA (0.46) GAAKMT2AMEN1MAPTTHRB
SCHEMBL10947371 0.82 GAA (0.49) GAAKMT2AMEN1ATMNPSR1
SCHEMBL16563870 0.82 ESR1 (0.54) GAAKMT2AMEN1ATMNPSR1
SCHEMBL12741450 0.82 ESR1 (0.54) GAAKMT2AMEN1ATMNPSR1
SCHEMBL10874676 0.82 ESR1 (0.54) GAAKMT2AMEN1ATMNPSR1
SCHEMBL13035863 0.81 GAA (0.56) GAAKMT2AMEN1ATMMAPT
SCHEMBL2777133 0.80 GAA (0.50) GAAKMT2AMEN1ATMLMNA
SCHEMBL1546560 0.80 GAA (0.50) GAAKMT2AMEN1ATMMAPT

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