SCHEMBL8983137

SCHEMBL8983137

CC(=NCc1ccccc1)OCCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.50
GRIN2B Q13224 10/20 0.42
GRIN1 Q05586 6/20 0.42
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.35
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL11281217 0.81 NOS2 (0.53) NOS2GRIN2BGRIN1LMNAALDH1A1
SCHEMBL11281212 0.81 NOS2 (0.53) NOS2GRIN2BGRIN1LMNAALDH1A1
SCHEMBL16673266 0.79 NOS2 (0.59) NOS2GRIN2BGRIN1LMNAALDH1A1
Hydrochloric Acid SCHEMBL18045044 0.77 NOS2 (0.57) NOS2GRIN2BGRIN1ALDH1A1GRIN2D
SCHEMBL104888 0.72 NOS2 (0.65) NOS2GRIN2BGRIN1ALDH1A1GRIN2D
SCHEMBL22068858 0.72 NOS2 (0.65) NOS2GRIN2BGRIN1ALDH1A1GRIN2D
SCHEMBL22068857 0.72 NOS2 (0.65) NOS2GRIN2BGRIN1ALDH1A1GRIN2D
SCHEMBL2802081 0.69 ALDH1A1 (0.62) LMNAALDH1A1TDP1TSHRSLC7A5
SCHEMBL20675953 0.69 NOS2 (0.96) NOS2GRIN2BGRIN1ALDH1A1GRIN2D
SCHEMBL6191953 0.69 NOS2 (0.61) NOS2GRIN2BGRIN1ALDH1A1GRIN2D

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
US-5536784-A Water borne crosslinkable compositions AIR PRODUCTS AND CHEMICALS, INC. (US) 1996-07-16 US disclosed
EP-0705855-A2 Water borne crosslinkable compositions AIR PRODUCTS AND CHEMICALS, INC. (US) 1996-04-10 EP disclosed