SCHEMBL7829705

SCHEMBL7829705

FC(F)(F)c1ccccc1C#CCOc1cccc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7826878 0.84 RAB9A (0.50) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7834273 0.81 RAB9A (0.59) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7831504 0.81 MAPT (0.54) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7831937 0.81 RAB9A (0.54) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7831393 0.79 RAB9A (0.46) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7838093 0.78 MAPT (0.45) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL6222546 0.78 RAB9A (0.60) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7819492 0.77 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7820036 0.76 RAB9A (0.59) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL6219019 0.73 MAPT (0.54) RAB9AMAPTNPC1SMN1; SMN2MEN1

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