SCHEMBL7050106

SCHEMBL7050106

CCc1cccc([N]C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
TP53 P04637 1/20 0.44
NOS1 P29475 4/20 0.43
NOS2 P35228 2/20 0.41
IDO1 P14902 1/20 0.40
MGLL Q99685 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 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
SCHEMBL17707286 0.84 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17707285 0.84 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6995828 0.80 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28395224 0.80 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11982706 0.80 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL166894 0.77 TP53 (0.61) SIGMAR1TP53NOS1NOS2IDO1
SCHEMBL14270237 0.75 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8397922 0.75 SIGMAR1 (0.64) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19129883 0.75 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL58461 0.75 GABRA1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed