SCHEMBL8975818

SCHEMBL8975818

O=[N+]([O-])c1cccc2c1OC(Cl)(Cl)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
GPR35 Q9HC97 2/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S100A4 P26447 2/20 0.37
HSD17B10 Q99714 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PDE10A Q9Y233 1/20 0.34
PTPRC P08575 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
SCHEMBL8975989 0.79 TDP1 (0.42) TDP1GPR35CA1CA2CA7
SCHEMBL10920087 0.72 HSPB1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7465992 0.71 TDP1 (0.33) TDP1GPR35CA1CA2CA7
Ethane SCHEMBL28101016 0.71 TDP1 (0.52) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL15009561 0.69 AHR (0.47) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL18936147 0.69 TDP1 (0.47) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL8976179 0.68 AHR (0.32)
SCHEMBL6257481 0.68 TXNRD1 (0.62) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL30379968 0.68 TXNRD1 (0.62) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL28152985 0.68 MEN1 (0.38) TDP1CA1CA2TSHRALDH1A1

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
EP-0537518-B1 Derivatives of 2,2-dihalobenzo(1,3)dioxoles substituted in the 4-position, methods for their preparation and their use BAYER AG (DE) 1996-04-17 EP disclosed
US-5281725-A Derivatives of 2,2-dihalogenobenzo[1,3]dioxoles substituted in the 4-position, processes for their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1994-01-25 US disclosed
EP-0537518-A1 Derivatives of 2,2-dihalobenzo(1,3)dioxoles substituted in the 4-position, methods for their preparation and their use BAYER AG (DE) 1993-04-21 EP disclosed