SCHEMBL28117879

SCHEMBL28117879

O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
TDP1 Q9NUW8 1/20 0.59
CYP3A4 P08684 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SRD5A2 P31213 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.50
ALOX5 P09917 2/20 0.49
LMNA P02545 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CASP6 P55212 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
CASR P41180 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 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
SCHEMBL232779 0.98 TP53 (0.64) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
Methane SCHEMBL7896214 0.95 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
SCHEMBL28172063 0.95 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
SCHEMBL6347695 0.95 CYP3A4 (0.63) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
SCHEMBL9133420 0.95 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
Hydrochloric Acid SCHEMBL2299193 0.95 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
SCHEMBL28138389 0.95 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
Hydrochloric Acid SCHEMBL3088495 0.95 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
SCHEMBL8060267 0.95 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2SRD5A2
SCHEMBL28559760 0.93 TP53 (0.60) TP53TDP1CYP3A4SMN1; SMN2SRD5A2

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
CN-106398828-A High-detergent dispersibility gasoline engine lubricating oil and preparation method thereof 东营市昊铭润滑科技有限公司 2017-02-15 CN claimed
CN-118324640-A Method for recycling 4-nitroisophthalic acid by using mother liquor of 5-nitroisophthalic acid production 江西大宇医药股份有限公司 2024-07-12 CN disclosed
CN-106398828-A High-detergent dispersibility gasoline engine lubricating oil and preparation method thereof 东营市昊铭润滑科技有限公司 2017-02-15 CN disclosed