SCHEMBL10840699

SCHEMBL10840699

O=[N+]([O-])c1cccc(Oc2[c]cccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
MAPT P10636 1/20 0.42
PGR P06401 1/20 0.41
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL4834040 0.83 HSPB1 (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL4203388 0.80 TSHR (0.67) ALDH1A1TSHRLMNAABCG2CHRNB2
SCHEMBL8968405 0.80 ALDH1A1 (0.39) ALDH1A1TSHRLMNALTA4HMEN1
SCHEMBL4456862 0.79 ALDH1A1 (0.60) ALDH1A1TSHRLMNAABCG2CHRNB2
SCHEMBL30043252 0.78 TSHR (0.64) ALDH1A1TSHRLMNAABCG2CHRNB2
SCHEMBL6273333 0.78 TSHR (0.64) ALDH1A1TSHRLMNAABCG2CHRNB2
SCHEMBL11453175 0.77 LMNA (0.57) ALDH1A1TSHRLMNAABCG2CHRNB2
SCHEMBL9158141 0.77 ALDH1A1 (0.67) ALDH1A1TSHRLMNACHRNB2CHRNA4
SCHEMBL9356592 0.77 ALDH1A1 (0.67) ALDH1A1TSHRLMNACHRNB2CHRNA4
SCHEMBL10840704 0.76 ALDH1A1 (0.54) ALDH1A1TSHRLMNAABCG2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4578107-A Herbicidal imidazolidine-2-one derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-03-25 US disclosed