SCHEMBL7831393

SCHEMBL7831393

FC(F)(F)c1ccc(C#CCOc2cccc3cccnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SLC40A1 Q9NP59 1/20 0.42
GAA P10253 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7838093 0.89 MAPT (0.45) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7819492 0.88 RAB9A (0.44) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7820036 0.87 RAB9A (0.59) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL6222546 0.84 RAB9A (0.60) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7830964 0.83 MAPT (0.50) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7819253 0.83 LMNA (0.50) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7820076 0.81 KDM4E (0.56) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL6217256 0.81 MAPT (0.50) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7829705 0.79 RAB9A (0.45) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7830618 0.79 RAB9A (0.52) RAB9AMAPTNPC1MEN1KMT2A

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