SCHEMBL28516207

SCHEMBL28516207

CN(C)c1cc(C(=O)ON=O)cc(Oc2cccc(Oc3ccccc3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.44
F2 P00734 7/20 0.44
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
ALOX5 P09917 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PLA2G10 O15496 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PGR P06401 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
Nitrous Acid SCHEMBL28516210 0.86 F10 (0.50) F10F2AKR1C3ALDH1A1SMN1; SMN2
SCHEMBL28905578 0.82 L3MBTL1 (0.45) F10F2AKR1C3ALDH1A1SMN1; SMN2
SCHEMBL946884 0.80 F10 (0.52) F10F2AKR1C3ALDH1A1GAA
SCHEMBL943936 0.79 F2 (0.59) F10F2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28521187 0.77 LOXL2 (0.57) F10F2
SCHEMBL28506542 0.73 SMN1; SMN2 (0.43) F10F2ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL28515427 0.72 SMN1; SMN2 (0.42) F10F2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL18049204 0.72 LOXL2 (0.63) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL18049153 0.72 SMN1; SMN2 (0.41) F10ALDH1A1SMN1; SMN2L3MBTL1PGR
SCHEMBL28577056 0.71 LOXL2 (0.48) F10F2

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-107624110-B Lysyl oxidase-like 2 inhibitors and uses thereof 法玛克亚公司 2021-01-26 CN disclosed