SCHEMBL7464332

SCHEMBL7464332

C=C(Sc1ccccc1C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 1/20 0.36
▸ SELE P16581 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MYC P01106 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL7455045 0.77 HTT (0.44) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL4908186 0.76 CA12 (0.39) ALDH1A1POLBMAPTMAPK1HPGD
Urea SCHEMBL28254322 0.74 ICAM1 (0.50) ICAM1SELEALDH1A1POLBMAPT
SCHEMBL28480606 0.74 CA12 (0.59) ALDH1A1POLBMAPTMAPK1HPGD
SCHEMBL172361 0.74 ACHE (0.39) ALDH1A1MAPTMAPK1HPGDCA12
SCHEMBL14237961 0.74 MAPT (0.45) ALDH1A1POLBMAPTMAPK1HPGD
SCHEMBL11688418 0.72 RAB9A (0.40) ALDH1A1POLBMAPTMAPK1HPGD
SCHEMBL9824740 0.72 IDO1 (0.46) ALDH1A1MAPTHPGDHSD17B10SMN1; SMN2
SCHEMBL3643658 0.72 SIRT1 (0.41) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL14919249 0.72 MAPT (0.41) ICAM1SELEALDH1A1POLBMAPT

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
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