SCHEMBL7086147

SCHEMBL7086147

Cc1cccc(C=Cc2ccccc2)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 13/20 0.57
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TRPA1 O75762 2/20 0.47
CHAT P28329 1/20 0.46
TTR P02766 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
GRM5 P41594 1/20 0.42
GRM4 Q14833 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1128126 0.81 RAB9A (0.66) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G
SCHEMBL16105782 0.81 RAB9A (0.66) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G
SCHEMBL1128128 0.81 RAB9A (0.66) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G
SCHEMBL1405665 0.80 NFE2L2 (0.73) NFE2L2TRPA1RELA
SCHEMBL842427 0.80 NFE2L2 (0.50) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G
SCHEMBL842428 0.80 NFE2L2 (0.50) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G
SCHEMBL16959694 0.78 ALDH1A1 (0.37) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G
SCHEMBL14428487 0.78 ALDH1A1 (0.37) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G
SCHEMBL135419 0.77 PTGS1 (0.58) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G
SCHEMBL135418 0.77 PTGS1 (0.58) NFE2L2KDM4ERAB9AAPOBEC3AAPOBEC3G

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
US-20030113805-A1 Intrinsically labelled solid support ZENECA LIMITED, A LONDON CORPORATION 2003-06-19 US disclosed
US-20010007740-A1 INTRINSICALLY LABELLED SOLID SUPPORT ZENECA LTD. 2001-07-12 US disclosed
EP-0843656-A1 INTRINSICALLY LABELLED SOLID SUPPORT ZENECA LIMITED (GB) 1998-05-27 EP disclosed
WO-1997003931-A1 INTRINSICALLY LABELLED SOLID SUPPORT ZENECA LIMITED (GB) 1997-02-06 WO disclosed