SCHEMBL6549393

SCHEMBL6549393

NNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
GPR35 Q9HC97 2/20 0.52
CTSD P07339 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
S100A4 P26447 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CXCR2 P25025 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL23081633 0.88 PDE7A (0.47) TDP1GPR35CTSDALDH1A1TSHR
SCHEMBL9680742 0.86 GPR35 (0.56) TDP1GPR35CTSDALDH1A1HSD17B10
SCHEMBL11884732 0.83 TDP1 (0.50) TDP1GPR35CTSDALDH1A1TSHR
Bromide SCHEMBL20984307 0.80 ALDH1A1 (0.59) TDP1ALDH1A1SMN1; SMN2MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL20984746 0.80 ALDH1A1 (0.59) TDP1ALDH1A1SMN1; SMN2MAPK1L3MBTL1
Nitric Acid SCHEMBL20984937 0.78 ALDH1A1 (0.56) TDP1GPR35ALDH1A1SMN1; SMN2MAPK1
SCHEMBL15906692 0.78 TSHR (0.50) TDP1CTSDALDH1A1TSHRSMN1; SMN2
SCHEMBL28195429 0.77 TDP1 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL2524312 0.77 TDP1 (0.58) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL7594638 0.77 TDP1 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022122846-A1 ETHODS OF DETECTING ALDEHYDES IN SAMPLES LONZA LTD (CH) 2022-06-16 WO claimed
WO-2022122846-A1 ETHODS OF DETECTING ALDEHYDES IN SAMPLES LONZA LTD (CH) 2022-06-16 WO disclosed
CN-104603128-B Antifungal heterocycle carbonyl acid amides 杜邦公司 2017-09-08 CN disclosed
CN-106458925-A Fungicidal pyrazoles 杜邦公司 2017-02-22 CN disclosed
EP-1073627-B1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES BAYER AGRICULTURE LTD (GB) 2004-12-01 EP disclosed
EP-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 EP disclosed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 US disclosed