SCHEMBL2720522

SCHEMBL2720522

CCc1ccc([N]C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.54
TAAR1 Q96RJ0 1/20 0.50
CYP2C9 P11712 1/20 0.48
TP53 P04637 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3174071 0.80 PLAU (0.56) PLAUTAAR1CYP2C9TP53GRIN2D
SCHEMBL24212689 0.80 PLAU (0.56) PLAUTAAR1CYP2C9TP53GRIN2D
SCHEMBL13638200 0.80 PLAU (0.56) PLAUTAAR1CYP2C9TP53GRIN2D
SCHEMBL14502153 0.79 PLAU (0.50) PLAUTAAR1CYP2C9TP53GRIN2D
SCHEMBL16705809 0.79 PLAU (0.50) PLAUTAAR1CYP2C9TP53GRIN2D
SCHEMBL1696969 0.78 MAPT (0.39) PLAUTP53ALDH1A1SMN1; SMN2TSHR
SCHEMBL36295 0.78 TP53 (0.67) PLAUTAAR1TP53CYP2A6LPL
SCHEMBL8267536 0.76 PLAU (0.52) PLAUTAAR1CYP2C9TP53GRIN2D
SCHEMBL8767212 0.76 PLAU (0.52) PLAUTAAR1CYP2C9TP53GRIN2D
SCHEMBL12955721 0.76 PLAU (0.52) PLAUTAAR1CYP2C9TP53GRIN2D

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
WO-2012051663-A1 ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2012-04-26 WO disclosed
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