SCHEMBL8698919

SCHEMBL8698919

CCOC(=O)C(C(=O)c1ccc(F)cc1)c1csc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PRKCZ Q05513 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
APP P05067 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9390231 0.83 ALDH1A1 (0.56) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL27466229 0.75 ALDH1A1 (0.54) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL999516 0.75 ALDH1A1 (0.56) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL21044135 0.74 ALDH1A1 (0.52) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL11972348 0.74 ALDH1A1 (0.55) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL9481200 0.74 ALDH1A1 (0.55) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL8892561 0.73 ALDH1A1 (0.51) MAPTRAB9AALDH1A1NPC1KMT2A
Hydrochloric Acid SCHEMBL5250136 0.72 ALDH1A1 (0.57) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL1000504 0.72 ALDH1A1 (0.54) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL999180 0.72 ALDH1A1 (0.54) MAPTRAB9AALDH1A1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712270-A TREATING PARKINSON*S DISEASE, DOWN*S SYNDROME, AND ALZHEIMER*S DISEASE WITH COGNITION ACTIVATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-27 US disclosed
US-5510478-A TREATMENT OF NEUROLOGICAL ILLNESSES RELATED TO CHOLINERGIC DEFICIENCY; ALZHEIMERS'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-23 US disclosed