SCHEMBL7463653

SCHEMBL7463653

Cc1occc1SC=CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
ALOX5 P09917 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6684034 1.00 ICAM1 (0.38) ICAM1SELEALOX5NPC1RAB9A
SCHEMBL6948291 0.86 HCAR2 (0.41) ICAM1SELENPC1RAB9ATSHR
SCHEMBL6948288 0.86 HCAR2 (0.41) ICAM1SELENPC1RAB9ATSHR
SCHEMBL18905887 0.76 MAPT (0.54) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL7464335 0.72 MAPT (0.38) ICAM1SELENPC1RAB9ATSHR
SCHEMBL5496057 0.71 KDM4E (0.41) ICAM1SELEALOX5NPC1RAB9A
SCHEMBL5989665 0.70
SCHEMBL7456040 0.68 ALDH1A1 (0.60) PKMLMNAALDH1A1KMT2AMEN1
SCHEMBL7463649 0.68 ICAM1 (0.39) ICAM1SELEALOX5NPC1RAB9A
SCHEMBL921135 0.67 CA12 (0.41) ICAM1SELEALOX5NPC1RAB9A

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