SCHEMBL11029530

SCHEMBL11029530

CN(SN(C)C(=O)OCc1ccccc1[N+](=O)[O-])C(=O)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20590967 0.82 MAOB (0.53) MAOBALDH1A1HTTTSHRKMT2A
SCHEMBL10483177 0.81 MAOB (0.42) MAOBALDH1A1HTTKMT2AMEN1
SCHEMBL11027172 0.80 CASP3 (0.43) MAOBALDH1A1HTTKMT2AMEN1
SCHEMBL11028408 0.79 IDO1 (0.44) ALDH1A1HTTKMT2AMEN1SIGMAR1
SCHEMBL11024878 0.76 ALDH1A1 (0.49) ALDH1A1TSHRKMT2ASIGMAR1
SCHEMBL566539 0.76 MAOB (0.50) MAOBALDH1A1HTTKMT2AMEN1
SCHEMBL18234027 0.76 MAOB (0.50) MAOBALDH1A1HTTTSHRKMT2A
SCHEMBL6324821 0.74 MAOB (0.54) MAOBALDH1A1HTTTSHRKMT2A
SCHEMBL1108184 0.74 MAOB (0.61) MAOBALDH1A1HTTTSHRKMT2A
SCHEMBL286962 0.74 MAOB (0.56) MAOBALDH1A1HTTTSHRKMT2A

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
US-4479002-A CHEMICAL INTERMEDIATES FOR INSECTICIDES, PESTICIDES UNION CARBIDE CORPORATION (US) 1984-10-23 US disclosed