SCHEMBL7456040

SCHEMBL7456040

Cc1ccc(SC=CC(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
MAPT P10636 9/20 0.60
NPSR1 Q6W5P4 6/20 0.60
LMNA P02545 6/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
DDAH1 O94760 1/20 0.47
HPGD P15428 10/20 0.42
HTT P42858 4/20 0.42
PLIN1 O60240 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
PKM P14618 2/20 0.41
ATM Q13315 2/20 0.41
NLRP1 Q9C000 1/20 0.41
NTSR1 P30989 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6948405 0.82 ALDH1A1 (0.67) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL6948401 0.82 ALDH1A1 (0.67) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL6666397 0.80 CA1 (0.47) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL7464098 0.79 PARP1 (0.44) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL6664649 0.77 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL6664645 0.77 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL2578206 0.76 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL29275316 0.72 MAPT (0.88) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL7464335 0.70 MAPT (0.38) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL10736506 0.70 MEN1 (0.47) ALDH1A1MAPTNPSR1LMNAMEN1

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
EP-1235826-A1 QUINUCLIDINE ACRYLAMIDES AstraZeneca AB (SE) 2002-09-04 EP claimed
WO-2001029034-A1 QUINUCLIDINE ACRYLAMIDES ASTRAZENECA AB (SE) 2001-04-26 WO claimed