SCHEMBL8082546

SCHEMBL8082546

[O]C(=O)c1c([C]=O)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR35 Q9HC97 2/20 0.46
PLAU P00749 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
S100A4 P26447 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSD P07339 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAPT P10636 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
SCHEMBL8976663 0.82 L3MBTL1 (0.47) TDP1L3MBTL1GPR35PLAUTSHR
SCHEMBL5682648 0.77 GPR35 (0.67) TDP1L3MBTL1GPR35PLAUTSHR
SCHEMBL25310 0.75 HSD17B10 (0.50) TDP1L3MBTL1GPR35PLAUTSHR
SCHEMBL1476531 0.75 TDP1 (0.74) TDP1L3MBTL1GPR35TSHRALDH1A1
SCHEMBL55225 0.74 GPR35 (0.55) TDP1GPR35PLAUTSHRALDH1A1
SCHEMBL3345170 0.74 TDP1 (0.48) TDP1GPR35PLAUTSHRALDH1A1
SCHEMBL10825048 0.73 TDP1 (0.47) TDP1GPR35PLAUTSHRALDH1A1
SCHEMBL5160633 0.73 TDP1 (0.67) TDP1L3MBTL1GPR35TSHRALDH1A1
SCHEMBL28273550 0.73 TDP1 (0.47) TDP1GPR35PLAUTSHRALDH1A1
SCHEMBL5222485 0.73 TDP1 (0.47) TDP1GPR35PLAUTSHRALDH1A1

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
US-6159988-A Arylcycloalkyl derivatives, their production and their use HOESCHST AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
US-5776977-A Arylcycloalkyl derivatives, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5589514-A ANTIINFLAMMATORY HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-31 US disclosed
EP-0551849-B1 Novel arylcycloalkyl derivatives their production and their use HOECHST AG (DE) 1996-10-09 EP disclosed
EP-0551849-A1 Novel arylcycloalkyl derivatives their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-21 EP disclosed