SCHEMBL11114846

SCHEMBL11114846

C#CCN(OCC=C)C(=O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
PTPN1 P18031 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
PYCR1 P32322 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LSS P48449 2/20 0.34
RAB9A P51151 1/20 0.34
NSD2 O96028 1/20 0.33
TNFRSF1A P19438 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MEN1 O00255 1/20 0.32
GPR55 Q9Y2T6 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
SCHEMBL11113840 0.86 TSHR (0.39) MAOAMAOB
SCHEMBL8328125 0.76 SMN1; SMN2 (0.50) MAOAMAOBSMN1; SMN2KMT2APYCR1
SCHEMBL10391612 0.73
SCHEMBL11112928 0.71 MAPT (0.32)
SCHEMBL11113968 0.70 SMN1; SMN2 (0.47) MAOBSMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL15453459 0.70 MAOA (0.54) MAOAMAOBKMT2APYCR1CYP1A2
SCHEMBL2834698 0.70 SNCA (0.58) PTPN1KMT2ARAB9ACES2CES1
SCHEMBL11109658 0.68 MAOA (0.43) MAOAMAOB
SCHEMBL10824695 0.67 NSD2 (0.38) PTPN1SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL31453528 0.66 SMN1; SMN2 (0.60) PTPN1SMN1; SMN2KMT2ACYP1A2CYP2C19

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-0103895-A2 Novel hydroxylamine derivatives, production and use thereof MEIJI SEIKA KABUSHIKI KAISHA (JP) 1984-03-28 EP disclosed