SCHEMBL6947763

SCHEMBL6947763

O=C(O)C=CSc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
NPSR1 Q6W5P4 5/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 4/20 0.62
HTT P42858 3/20 0.47
PLIN1 O60240 1/20 0.47
HPGD P15428 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PLA2G4A P47712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 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
SCHEMBL6947760 1.00 MAPT (0.62) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL600478 0.81 ALDH1A1 (0.68) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL9330897 0.81 ALDH1A1 (0.68) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL600479 0.81 ALDH1A1 (0.68) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL6944654 0.80 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL6948405 0.80 ALDH1A1 (0.67) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL6948401 0.80 ALDH1A1 (0.67) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL22701981 0.80 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL20697998 0.80 MAPT (0.47) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL6944659 0.80 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642246-B1 Potent ligands for nicotinic acetylcholine receptors (nAChRs). Alzheimer's disease, cognitive or attention disorders, anxiety, depression, smoking cessation, neuroprotection, schizophrenia, analgesia, Tourette's syndrome, and Parkinson's ASTRAZENECA AB (SE) 2003-11-04 US disclosed
EP-1235826-B1 QUINUCLIDINE ACRYLAMIDES ASTRAZENECA AB (SE) 2003-09-03 EP disclosed
EP-1235826-A1 QUINUCLIDINE ACRYLAMIDES AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001029034-A1 QUINUCLIDINE ACRYLAMIDES ASTRAZENECA AB (SE) 2001-04-26 WO disclosed