SCHEMBL27477172

SCHEMBL27477172

CC1[C@@H](N)OC(=O)N1c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP19A1 P11511 4/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.39
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
ABCB1 P08183 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR6 P50406 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL7811054 0.75 GRM2 (0.44) POLBMAPT
SCHEMBL14722693 0.71 CTSV (0.45) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL11422374 0.70 CYP19A1 (0.50) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL10409122 0.70 NPC1 (0.55) CYP19A1POLBMAPTMYCMAX
SCHEMBL30184780 0.69 CTSV (0.51) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL1040246 0.69 CTSV (0.51) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL7907625 0.69 MEN1 (0.54) CYP11B1CYP11B2POLBMAPTMYC
SCHEMBL3926941 0.68 KMT2A (0.53) POLBMAPTMYCMAXABCB1
SCHEMBL30189830 0.68 KMT2A (0.53) POLBMAPTMYCMAXABCB1
SCHEMBL7116860 0.68 POLB (0.56) CYP11B1CYP11B2CYP19A1POLBMAPT

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
CN-1160051-A New substituted oxazolidinones BAYER AG (DE) 1997-09-24 CN disclosed