SCHEMBL31336089

SCHEMBL31336089

NNc1cc(OCc2ccccc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.50
ALOX5 P09917 1/20 0.49
CYP3A4 P08684 2/20 0.48
BCHE P06276 3/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL1193007 1.00 MAOB (0.50) MAOBALOX5CYP3A4BCHEGAA
SCHEMBL21477168 0.86 MAOB (0.37) MAOBALOX5CYP3A4BCHEGAA
SCHEMBL2566946 0.85 MAPK1 (0.50) MAOAMAPK1
SCHEMBL21464492 0.84 TDP1 (0.43) MAOBCYP3A4L3MBTL1HDAC6
SCHEMBL30892114 0.84 TDP1 (0.43) MAOBCYP3A4L3MBTL1HDAC6
SCHEMBL28880164 0.84 NUDT1 (0.51) MAOBALOX5CYP3A4BCHEMAOA
SCHEMBL15779678 0.81 MEN1 (0.49) MAOBALOX5CYP3A4BCHESMN1; SMN2
SCHEMBL16343553 0.81 TSHR (0.48) CYP3A4MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL26697665 0.80 MEN1 (0.59) MAOBRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL190912 0.78 MAOB (0.59) MAOBALOX5CYP3A4BCHEGAA

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-119212707-A Oxadiazole HDAC6 inhibitors and uses thereof 艾科尼佐治疗股份有限公司 2024-12-27 CN disclosed