SCHEMBL28036853

SCHEMBL28036853

O=[N+]([O-])c1nccn1OP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA12 O43570 5/20 0.35
CA9 Q16790 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 1/20 0.35
TYMP P19971 3/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL27826286 0.75 LMNA (0.37) LMNATHRBCYP2C19KMT2ACA1
SCHEMBL9953609 0.73 LMNA (0.40) LMNATHRBCYP2C19KMT2ACA1
SCHEMBL2283075 0.66 LMNA (0.45) LMNATHRBCYP2C19KMT2ACA1
Methyl Alcohol SCHEMBL27771562 0.66 KMT2A (0.44) LMNATHRBCYP2C19KMT2ACA1
SCHEMBL27495941 0.66 ESR1 (0.44)
SCHEMBL17635577 0.65
SCHEMBL6131634 0.65
SCHEMBL6236180 0.65
SCHEMBL3955047 0.65
SCHEMBL4262422 0.65

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109200031-A The method for treating melanoma 阿布拉科斯生物科学有限公司 2019-01-15 CN disclosed
CN-105120859-B Method for treating melanoma 阿布拉科斯生物科学有限公司 2018-10-09 CN disclosed
CN-105120859-A Method for treating melanoma ABRAXIS BIOSCIENCE LLC 2015-12-02 CN disclosed