SCHEMBL7054037

SCHEMBL7054037

COc1cc(Oc2cccc(C)c2)nc(C(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.54
KDM4E B2RXH2 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.49
AHR P35869 1/20 0.49
MAPK1 P28482 2/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL7052802 0.78 MAPT (0.58) RAB9ANPC1KDM4EGAAPOLB
SCHEMBL7048317 0.78 NPC1 (0.51) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL7051171 0.77 HPGD (0.54) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL8069129 0.74 OGG1 (0.45) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL7605482 0.73 MAPT (0.67) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL8070042 0.72 MAPT (0.50) RAB9ANPC1GAACYP1A2CYP3A4
SCHEMBL8058715 0.71 MCL1 (0.43) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL8363735 0.71 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL7053854 0.70 MAPT (0.63) RAB9AKDM4EGAAPOLBMAPK1
SCHEMBL8074659 0.70 MAPT (0.47) RAB9ANPC1KDM4EKMT2AGAA

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