SCHEMBL6136309

SCHEMBL6136309

NC(=NCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 15/20 0.76
▸ GRIN1 Q05586 5/20 0.76
▸ NOS2 P35228 1/20 0.50
▸ SCN2A Q99250 1/20 0.50

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
SCHEMBL456941 0.87 GRIN2B (1.00) GRIN2BGRIN1NOS2
SCHEMBL17196594 0.87 GRIN2B (1.00) GRIN2BGRIN1NOS2
SCHEMBL19688443 0.84 GRIN2B (1.00) GRIN2BGRIN1NOS2
SCHEMBL27750271 0.80 GRIN2B (0.61) GRIN2BGRIN1NOS2SCN2A
SCHEMBL17253944 0.78 GRIN2B (0.69) GRIN2BGRIN1NOS2
Hydrochloric Acid SCHEMBL4741316 0.77 GRIN2B (0.67) GRIN2BGRIN1
SCHEMBL5236050 0.76 TSHR (0.52) GRIN2BGRIN1
Terephthalic Acid SCHEMBL31728635 0.72 LOXL2 (0.64) —
SCHEMBL11037096 0.72 GRIN2B (0.56) GRIN2BGRIN1NOS2SCN2A
Terephthalic Acid SCHEMBL1887306 0.72 TSHR (0.62) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777492-B1 COMBINATORIAL LIBRARIES OF SUBSTRATE-BOUND CYCLIC ORGANIC COMPOUNDS CHIRON CORP (US) 2005-01-19 — — EP disclosed
EP-0777492-A4 COMBINATORIAL LIBRARIES OF SUBSTRATE-BOUND CYCLIC ORGANIC COMPOUNDS CHIRON CORP (US) 2002-11-27 — — EP disclosed
EP-0777492-A1 COMBINATORIAL LIBRARIES OF SUBSTRATE-BOUND CYCLIC ORGANIC COMPOUNDS CHIRON CORPORATION (US) 1997-06-11 — — EP disclosed
WO-1996040201-A1 COMBINATORIAL LIBRARIES OF SUBSTRATE-BOUND CYCLIC ORGANIC COMPOUNDS CHIRON CORPORATION (US) 1996-12-19 — — WO disclosed
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