SCHEMBL11055834

SCHEMBL11055834

O=C(O)C(O)C(O)C(=O)ON(Br)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.31
SRC P12931 1/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL11059430 0.76 TSHR (0.38) NPSR1TSHRLMNAMAPK1ATM
Cadaverine Tartrate SCHEMBL21145062 0.73 TSHR (0.48) NPSR1TSHRLMNAMAPK1ATM
Cadaverine Tartrate SCHEMBL21145066 0.73 TSHR (0.48) NPSR1TSHRLMNAMAPK1ATM
SCHEMBL744078 0.71 NPSR1 (0.40) NPSR1TSHRATMTDP1L3MBTL1
SCHEMBL526417 0.68 ATM (0.49) TSHRLMNAMAPK1ATMTDP1
Biphenyl SCHEMBL29071567 0.66 TSHR (0.56) TSHRLMNAMAPK1ALDH1A1CYP2D6
Biphenyl SCHEMBL11322437 0.66 TSHR (0.56) TSHRLMNAMAPK1ALDH1A1CYP2D6
SCHEMBL436740 0.66 ALDH1A1 (0.52) TSHRLMNAMAPK1TDP1L3MBTL1
SCHEMBL6012976 0.66 ALDH1A1 (0.55) LMNAMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL8426058 0.66 ALDH1A1 (0.55) LMNAMAPK1TDP1L3MBTL1ALDH1A1

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-4461895-A FOR COMBATTING COLDS AND ALLERGIES WARNER-LAMBERT COMPANY (US) 1984-07-24 US disclosed