SCHEMBL6560778

SCHEMBL6560778

Cc1cc(F)ccc1-c1c(O)c(C)c(-c2ccccn2)oc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR1 P03372 10/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 1/20 0.36
KCNA3 P22001 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.35
CASP6 P55212 1/20 0.35
FABP1 P07148 1/20 0.35

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
SCHEMBL6948407 0.87 MAOA (0.40) MAOAKDM4EHPGDTSHRNPSR1
SCHEMBL11989369 0.86 RAB9A (0.42) MAOAKDM4EHPGDTSHRNPSR1
SCHEMBL7223514 0.80 MAOA (0.41) MAOAKDM4EHPGDTSHRNPSR1
SCHEMBL6558585 0.80 ESR1 (0.45) KDM4EHPGDNPSR1ESR1RAB9A
SCHEMBL11989364 0.78 MAOA (0.39) MAOAKDM4EHPGDTSHRNPSR1
SCHEMBL14609733 0.78 KDM4E (0.38) MAOAKDM4EHPGDTSHRNPSR1
SCHEMBL11989365 0.74 ERN1 (0.40) MAOAKDM4EHPGDTSHRNPSR1
SCHEMBL7172196 0.73 KDM4E (0.41) MAOAKDM4EHPGDTSHRNPSR1
SCHEMBL4550928 0.73 KDM4E (0.47) KDM4ENPC1LMNARAB9AKMT2A
SCHEMBL30090683 0.73 KDM4E (0.47) KDM4ENPC1LMNARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123003-B1 UTILIZATION OF 3-PHENYL-PYRONES FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2004-03-17 EP disclosed
EP-1119559-B1 3-PHENYL-PYRONES BAYER CROPSCIENCE AG (DE) 2003-11-26 EP disclosed
US-6472350-B1 Utilization of 3-phenyl-pyrones for pest control BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed
US-6441030-B1 PESTICIDES, FUNGICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
EP-1123003-A1 UTILIZATION OF 3-PHENYL-PYRONES FOR PEST CONTROL Bayer Aktiengesellschaft (DE) 2001-08-16 EP disclosed
WO-2000024256-A1 UTILIZATION OF 3-PHENYL-PYRONES FOR PEST CONTROL BAYER AKTIENGESELLSCHAFT (DE) 2000-05-04 WO disclosed