SCHEMBL8610227

SCHEMBL8610227

CCOC=CC(C#N)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
NPC1 O15118 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ANPEP P15144 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL1224747 0.73 TDP1 (0.44) SMN1; SMN2PGRADRA2AADRA2BHTR2A
SCHEMBL12997993 0.70 MEN1 (0.51) SMN1; SMN2PGRADRA2AADRA2BHTR2A
SCHEMBL31468333 0.68 PGR (0.47) SMN1; SMN2PGRADRA2AADRA2BHTR2A
SCHEMBL10275631 0.68 AKT1 (0.54) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL10275628 0.68 AKT1 (0.54) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL10439177 0.68 AKT1 (0.54) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL6080831 0.68 PGR (0.44) SMN1; SMN2PGRADRA2AADRA2BHTR2A
Benzene SCHEMBL28162079 0.68 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL4371700 0.67 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL9715043 0.67 SMN1; SMN2 (0.48) SMN1; SMN2PGRADRA2AADRA2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492442-B1 Photographic elements containing removable filter dye EASTMAN KODAK CO (US) 1998-04-08 EP disclosed
US-5158865-A Filter dye linked to ballast group by splittable moiety EASTMAN KODAK COMPANY (US) 1992-10-27 US disclosed
EP-0492442-A1 Photographic elements containing removable filter dye EASTMAN KODAK COMPANY (US) 1992-07-01 EP disclosed