SCHEMBL28486120

SCHEMBL28486120

Cc1ccc(CNOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CNR2 P34972 1/20 0.44
USP2 O75604 1/20 0.43
CYP19A1 P11511 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL27674103 0.92 CA12 (0.59) ALDH1A1CA12CA9CA1CA2
SCHEMBL5929599 0.85 IGF1R (0.45) ALDH1A1CA12CA9CA1CA2
SCHEMBL11545447 0.81 ALDH1A1 (0.53) ALDH1A1CA12CA9CA1CA2
SCHEMBL27940729 0.81 KMT2A (0.47) ALDH1A1CA12CA9CA1CA2
SCHEMBL14018774 0.79 ALDH1A1 (0.45) ALDH1A1CA12CA9CA1CA2
SCHEMBL11570200 0.78 ALDH1A1 (0.47) ALDH1A1CA12CA9CA2CYP3A4
SCHEMBL10985034 0.78 KEAP1 (0.53) ALDH1A1CA12CA9CA1CA2
SCHEMBL13956708 0.77 ALDH1A1 (0.44) ALDH1A1CA12CA9CA1CA2
SCHEMBL769089 0.77 ALDH1A1 (0.44) ALDH1A1CA12CA9CA1CA2
SCHEMBL27491708 0.77 GBA1 (0.46) ALDH1A1CA12CA9CA1CA2

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-108997425-B Method for preparing high-content fosfomycin trometamol 湖南华纳大药厂手性药物有限公司 2020-11-13 CN disclosed