SCHEMBL7047412

SCHEMBL7047412

C[N]c1cccc(NC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
NOS1 P29475 3/20 0.41
APP P05067 2/20 0.35
SIGMAR1 Q99720 4/20 0.33
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
BRD4 O60885 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL4411408 0.84 TSHR (0.46) TSHRNOS1APPSIGMAR1GRIN2D
SCHEMBL29566094 0.84 TSHR (0.46) TSHRNOS1APPSIGMAR1GRIN2D
SCHEMBL4411407 0.84 TSHR (0.46) TSHRNOS1APPSIGMAR1GRIN2D
SCHEMBL21131177 0.80 TSHR (0.42) TSHRNOS1APPSIGMAR1GRIN2D
SCHEMBL628205 0.77 TSHR (0.61) TSHRAPPBRD4MAPTEGFR
SCHEMBL11527566 0.75 TSHR (0.38) TSHRNOS1APPSIGMAR1GRIN2D
SCHEMBL15959086 0.75 EGFR (0.43) TSHRNOS1APPSIGMAR1CYP1A1
Hydrochloric Acid SCHEMBL5151093 0.75 TSHR (0.58) TSHRAPPBRD4MAPTEGFR
SCHEMBL22328162 0.72 NPC1 (0.53) NOS1APPMAPTEGFRALDH1A1
SCHEMBL7050537 0.70 ADRA2A (0.54) TSHRNOS1APPADRA2AADRA2B

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