SCHEMBL7464335

SCHEMBL7464335

Cc1ccccc1SC=CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
ALDH1A1 P00352 7/20 0.38
NPSR1 Q6W5P4 5/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
PLIN1 O60240 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
MAPK1 P28482 4/20 0.36
MDM2 Q00987 2/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
POLB P06746 1/20 0.34
DDAH1 O94760 1/20 0.34

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
SCHEMBL6946681 0.84 NPSR1 (0.42) MAPTALDH1A1NPSR1LMNAMEN1
SCHEMBL6946687 0.84 NPSR1 (0.42) MAPTALDH1A1NPSR1LMNAMEN1
SCHEMBL6664572 0.78 HTT (0.50) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL6664578 0.78 HTT (0.50) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL6942168 0.78 HTT (0.50) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL4649042 0.76 MMP1 (0.49) MAPTALDH1A1NPSR1MEN1NFKB1
SCHEMBL4649040 0.76 MMP1 (0.49) MAPTALDH1A1NPSR1MEN1NFKB1
SCHEMBL4647175 0.73 NPSR1 (0.40) MAPTALDH1A1NPSR1LMNAMEN1
SCHEMBL21900269 0.72 TSHR (0.39) ALDH1A1LMNATSHR
SCHEMBL19563725 0.72 TSHR (0.39) ALDH1A1LMNATSHR

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