SCHEMBL7054569

SCHEMBL7054569

COc1cc(Br)nc(C(=O)NCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
HPGDS O60760 1/20 0.52
MMP13 P45452 1/20 0.51
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 2/20 0.51
CLK1 P49759 1/20 0.51
TP53 P04637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49
TACR3 P29371 1/20 0.49

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
SCHEMBL31026218 0.79 MMP13 (0.61) HPGDALDH1A1SMN1; SMN2HPGDSMMP13
SCHEMBL10077691 0.76 HPGD (0.68) HPGDALDH1A1SMN1; SMN2MMP13KDM4E
SCHEMBL7053782 0.74 MAPT (0.55) L3MBTL1KDM4EMEN1KMT2AMAPT
SCHEMBL1424927 0.74 LMNA (0.51) HPGDALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL22792049 0.74 HPGD (0.53) HPGDALDH1A1SMN1; SMN2HPGDSMMP13
SCHEMBL7051177 0.74 NPC1 (0.48) HPGDALDH1A1SMN1; SMN2HPGDSKDM4E
SCHEMBL2918147 0.72 NPC1 (0.83) HPGDALDH1A1SMN1; SMN2L3MBTL1TP53
SCHEMBL6491776 0.71 MMP13 (0.61) HPGDALDH1A1SMN1; SMN2L3MBTL1MMP13
SCHEMBL9252367 0.71 HPGD (0.65) HPGDALDH1A1SMN1; SMN2MMP13KDM4E
SCHEMBL2922655 0.71 MMP13 (0.81) HPGDALDH1A1SMN1; SMN2L3MBTL1MMP13

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 5 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
US-6005112-A REACTING SUBSTITUTED OR UNSUBSTITUTED PYRIDINE METAL COMPOUND WITH SUBSTITUTED ISOCYANATE OR ISOTHIOCYANATE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-12-21 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
EP-0881217-A1 PROCESS FOR PRODUCING PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-02 EP disclosed