SCHEMBL20806464

SCHEMBL20806464

CNc1ccccc1/C(N)=N\Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 14/20 0.54
▸ GRIN1 Q05586 7/20 0.54
▸ NOS2 P35228 1/20 0.50
▸ SIGMAR1 Q99720 3/20 0.46
▸ GRIN2D O15399 3/20 0.46
▸ GRIN3B O60391 3/20 0.46
▸ GRIN2A Q12879 3/20 0.46
▸ GRIN2C Q14957 3/20 0.46
▸ GRIN3A Q8TCU5 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SCN2A Q99250 1/20 0.40

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
SCHEMBL8379844 0.75 KDM4E (0.48) KDM4EPOLBATM
SCHEMBL11037099 0.75 GRIN2B (0.59) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL11037096 0.72 GRIN2B (0.56) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL16702044 0.72 GRIN2B (0.65) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL456941 0.71 GRIN2B (1.00) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL17196594 0.71 GRIN2B (1.00) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL20675953 0.69 NOS2 (0.96) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL14291059 0.69 NOS2 (0.96) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL45769 0.68 GRIN2B (0.68) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL704708 0.67 KDM4E (0.62) KDM4EPOLBATM

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
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 — — EP disclosed
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