SCHEMBL7517485

SCHEMBL7517485

CC(=O)C1Cc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 2/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ERN1 O75460 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1080845 0.86 TDP1 (0.44) TDP1GPR35TSHRL3MBTL1CHRNB2
SCHEMBL14017372 0.86 TDP1 (0.44) TDP1GPR35TSHRL3MBTL1CHRNB2
SCHEMBL7214637 0.85 CHRNB2 (0.41) TDP1GPR35TSHRL3MBTL1TAS1R3
Hydrochloric Acid SCHEMBL7214642 0.85 TDP1 (0.43) TDP1GPR35TSHRL3MBTL1CHRNB2
Hydrochloric Acid SCHEMBL7214648 0.85 TDP1 (0.43) TDP1GPR35TSHRL3MBTL1CHRNB2
SCHEMBL1082453 0.84 MAPT (0.48) TDP1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL14651332 0.80 HRH4 (0.46) L3MBTL1ALDH1A1
SCHEMBL1573308 0.78 TDP1 (0.38) TDP1GPR35TSHRL3MBTL1TAS1R3
SCHEMBL12716705 0.78 CHRNB2 (0.39) TDP1GPR35TSHRL3MBTL1TAS1R3
SCHEMBL5916971 0.78 GPR35 (0.46) TDP1GPR35TSHRCHRNB2CHRNA4

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-1017683-A4 PROTECTING AND LINKING GROUPS FOR ORGANIC SYNTHESIS ALCHEMIA PTY LTD (AU) 2002-03-06 EP disclosed
EP-1017683-A1 PROTECTING AND LINKING GROUPS FOR ORGANIC SYNTHESIS Alchemia Pty. Ltd. (AU) 2000-07-12 EP disclosed
EP-0977763-A4 PROTECTED AMINOSUGARS ALCHEMIA PTY LTD (AU) 2000-07-12 EP disclosed
EP-0977763-A1 PROTECTED AMINOSUGARS Alchemia Pty. Ltd. (AU) 2000-02-09 EP disclosed
WO-1999015510-A1 PROTECTING AND LINKING GROUPS FOR ORGANIC SYNTHESIS ALCHEMIA PTY. LTD. (AU) 1999-04-01 WO disclosed
WO-1998038197-A1 PROTECTED AMINOSUGARS ALCHEMIA PTY. LTD. (AU) 1998-09-03 WO disclosed