SCHEMBL7833737

SCHEMBL7833737

O=[N+]([O-])c1ccc(C#CCOc2cccc3cccnc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKBIA P25963 1/20 0.46
RELA Q04206 1/20 0.46
PDE10A Q9Y233 1/20 0.45
PKM P14618 1/20 0.45
KDR P35968 1/20 0.45
POLB P06746 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
SCHEMBL7819953 0.88 MEN1 (0.56) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL7820036 0.82 RAB9A (0.59) MEN1KMT2ANPC1MAPTGAA
SCHEMBL6222546 0.82 RAB9A (0.60) MEN1KMT2ANPC1MAPTGAA
SCHEMBL7830964 0.81 MAPT (0.50) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL7819253 0.81 LMNA (0.50) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL7820076 0.79 KDM4E (0.56) MEN1KMT2ANPC1MAPTHTT
SCHEMBL6217256 0.79 MAPT (0.50) MEN1KMT2ANPC1MAPTGAA
SCHEMBL9068246 0.79 RAB9A (0.49) MEN1KMT2ANPC1MAPTGAA
SCHEMBL1083102 0.79 MEN1 (1.00) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL7831393 0.78 RAB9A (0.46) MEN1KMT2ANPC1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764165-B1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER LAMBERT CO (US) 2001-11-07 EP claimed
US-5346911-A Analgesics, cognition activators, treatment of alzheimer*s s disease WARNER-LAMBERT COMPANY (US) 1994-09-13 US claimed
EP-0764165-B1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER LAMBERT CO (US) 2001-11-07 EP disclosed
US-5514812-A Preparation of stereochemically pure oximes with muscarinic activity WARNER-LAMBERT COMPANY (US) 1996-05-07 US disclosed
US-5346911-A Analgesics, cognition activators, treatment of alzheimer*s s disease WARNER-LAMBERT COMPANY (US) 1994-09-13 US disclosed