SCHEMBL28078653

SCHEMBL28078653

O=[N+]([O-])c1cccc(-c2ccc[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
NPC1 O15118 4/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 3/20 0.53
IDO1 P14902 1/20 0.53
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.47
ACHE P22303 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL7509648 0.86 CYP19A1 (0.54) MAPTNPC1LMNAMEN1POLB
SCHEMBL8816050 0.80 MAPT (0.54) MAPTNPC1LMNAMEN1POLB
SCHEMBL6738366 0.79 TSHR (0.76) MAPTNPC1LMNAMEN1POLB
SCHEMBL7509794 0.79 ALDH1A1 (0.46) MAPTNPC1LMNAMEN1POLB
SCHEMBL11392466 0.77 TSHR (0.73) MAPTNPC1LMNAMEN1POLB
SCHEMBL11392461 0.77 TSHR (0.73) MAPTNPC1LMNAMEN1POLB
Iodide SCHEMBL30804629 0.77 TSHR (0.73) MAPTNPC1LMNAMEN1POLB
Iodide SCHEMBL28598177 0.77 TSHR (0.73) MAPTNPC1LMNAMEN1POLB
SCHEMBL28471286 0.77 TSHR (0.73) MAPTNPC1LMNAMEN1POLB
SCHEMBL20510943 0.77 CNR1 (0.47) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414433-A Diazaspiroalkaneone-substituted oxazole derivatives as spleen tyrosine kinase inhibitors AB科学有限公司 2017-02-15 CN disclosed
CN-103717591-B Oxazole and Thiazole Derivatives as Selective Protein Kinase (C-KIT) Inhibitors AB科学有限公司 2016-08-24 CN disclosed