SCHEMBL5916635

SCHEMBL5916635

O=C(O)c1cc([N+](=O)[O-])ccc1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPT P10636 5/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.55
CYP1A2 P05177 2/20 0.53
MEN1 O00255 3/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
NPC1 O15118 1/20 0.47
TRPA1 O75762 1/20 0.47

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
SCHEMBL8483121 0.86 ALDH1A1 (0.56) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28428327 0.86 ALDH1A1 (0.60) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6589180 0.86 HTT (0.63) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28633259 0.85 ALDH1A1 (0.54) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL31301947 0.85 MAPT (0.51) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6393059 0.85 ALDH1A1 (0.54) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11648063 0.85 ALDH1A1 (0.58) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL1122546 0.85 CYP1A2 (0.69) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL9680553 0.85 ALDH1A1 (0.54) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6398092 0.83 ALDH1A1 (0.53) KMT2AALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715692-A Application of oxaborane compound in prevention and treatment of plant diseases 广西田园生化股份有限公司 2023-09-08 CN disclosed
US-20060121621-A1 Nitrate/nitrite assay reagents, kit, and method of use TS POLYMERS, INC. 2006-06-08 US disclosed
US-20060121621-A1 Nitrate/nitrite assay reagents, kit, and method of use TS POLYMERS, INC. 2006-06-08 US disclosed
US-20060121620-A1 Nitrate/nitrite assay reagents, kit, and method of use TS POLYMERS, INC. 2006-06-08 US disclosed
US-20060121620-A1 Nitrate/nitrite assay reagents, kit, and method of use TS POLYMERS, INC. 2006-06-08 US disclosed
US-6908719-B1 Photosensitive compound and photosensitive composition SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-21 US disclosed
US-5856334-A ANTAGONIST FOR EOSINOPHILS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
EP-0773219-A1 IMIDAZOQUINOLINE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed