SCHEMBL7298111

SCHEMBL7298111

O=[N+]([O-])c1cccc2c1OCC[C]2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
GPR35 Q9HC97 2/20 0.39
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 1/20 0.36
S100A4 P26447 1/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL9584941 0.74 TDP1 (0.40) TDP1GPR35TXNRD1TXNRD3TXNRD2
SCHEMBL2962443 0.73 MAPT (0.47) TDP1GPR35TXNRD1TXNRD3TXNRD2
SCHEMBL8774762 0.72 MAPT (0.43) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL7469720 0.71 TDP1 (0.44) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL8948801 0.71 PARP1 (0.49) TDP1GPR35TXNRD1TXNRD3TXNRD2
SCHEMBL7298106 0.69 TDP1 (0.41) TDP1GPR35TXNRD1TXNRD3TXNRD2
SCHEMBL10659420 0.69 ALDH1A1 (0.42) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL2247062 0.68 MAPT (0.49) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL7301421 0.67 TRPA1 (0.33) TSHRALDH1A1MCL1
SCHEMBL6257481 0.66 TXNRD1 (0.62) TDP1GPR35TXNRD1TXNRD3TXNRD2

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
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed