SCHEMBL30096056

SCHEMBL30096056

O=[N+]([O-])c1ccc(COc2ccccc2CO)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
LMNA P02545 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
PPIA P62937 2/20 0.52
RECQL P46063 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
IDO1 P14902 2/20 0.49
KDM4E B2RXH2 1/20 0.48
PPIF P30405 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL9566106 1.00 MAPT (0.60) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9687632 0.86 MAPT (0.67) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9566105 0.85 MAPT (0.56) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL214776 0.83 MEN1 (0.62) MAPTMEN1KMT2APPIACYP19A1
SCHEMBL14008900 0.83 CYP19A1 (0.62) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL347674 0.79 MEN1 (0.65) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL692555 0.79 HTR1A (0.67) MAPTLMNAMEN1KMT2AHTR1A
SCHEMBL25204382 0.79 MAPT (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6031737 0.79 MAPT (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL13483785 0.79 MAPT (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2

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-113817164-B Hypoxic sensitive drug carrier polymer and preparation method and application thereof 北京化工大学 2022-11-29 CN disclosed