SCHEMBL11245398

SCHEMBL11245398

O=[N+]([O-])c1cccc(COc2[c]cccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 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
F2 P00734 1/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10840243 0.86 TSHR (0.47) MAOBMAOAMEN1KMT2AHTR1A
SCHEMBL7867611 0.84 IDO1 (0.50) MAOBMAOAMEN1KMT2AHTR1A
SCHEMBL11854424 0.80 MAPT (0.51) MAOBMEN1KMT2AALDH1A1MAPT
SCHEMBL6599866 0.78 MAOB (0.68) MAOBMAOAMEN1KMT2ATSHR
SCHEMBL7253875 0.77 MAOB (0.64) MAOBMAOAMEN1KMT2AF2
SCHEMBL9628070 0.76 TSHR (0.66) MAOBMAOAMEN1KMT2AHTR1A
SCHEMBL10840699 0.75 ALDH1A1 (0.48) MEN1KMT2AF2TSHRALDH1A1
SCHEMBL6810250 0.75 MAOB (0.55) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL6979276 0.75 TSHR (0.53) MAOBMAOAMEN1KMT2ATSHR
SCHEMBL1767329 0.75 TSHR (0.65) MAOBMAOAMEN1KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102333764-A Substituted azole derivatives, pharmaceutical composition containing the derivatives, and method for treating parkinson's disease using the same SK HOLDINGS CO LTD 2012-01-25 CN claimed
CN-108329330-B 2-benzyloxy phenyl oxazolopyridine compound and pharmaceutical application thereof 复旦大学 2021-05-04 CN disclosed
EP-0011370-B1 PROCESS FOR PREPARING 2-CHLOROSULFINYL-AZETIDINONES ELI LILLY AND COMPANY (US) 1982-04-28 EP disclosed
US-4289695-A REACTION OF A PHENICILLIN WITH AN N-CHLORO HALOGENATING AGENT IN PRESENCE OF A CROSSLINKED POLYVINYLPYRIDINE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0011370-A1 Process for preparing 2-chlorosulfinyl-azetidinones ELI LILLY AND COMPANY (US) 1980-05-28 EP disclosed
US-4159272-A Process for 2-chlorosulfinylazetidin-4-ones ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed