SCHEMBL7010910

SCHEMBL7010910

CCOC(=O)CC(=O)c1cc([N+](=O)[O-])c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 8/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR174 Q9BXC1 2/20 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
SCHEMBL1301604 0.88 LMNA (0.43) ALDH1A1LMNASMN1; SMN2GALR2MITF
SCHEMBL10423012 0.85 MAPT (0.47) ALDH1A1LMNASMN1; SMN2GALR2MITF
SCHEMBL7007303 0.84 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2GALR2MITF
SCHEMBL670959 0.83 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2GALR2MITF
SCHEMBL30071516 0.82 GAA (0.47) ALDH1A1LMNASMN1; SMN2NPSR1MAPT
SCHEMBL670736 0.82 GAA (0.47) ALDH1A1LMNASMN1; SMN2NPSR1MAPT
SCHEMBL1003801 0.81 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2GALR2MITF
SCHEMBL7010043 0.81 LMNA (0.43) ALDH1A1LMNASMN1; SMN2GALR2MITF
SCHEMBL275672 0.80 LMNA (0.50) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL9080448 0.80 SMN1; SMN2 (0.55) ALDH1A1LMNASMN1; SMN2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624133-A Dihydroquinoline derivative and application thereof in lung cancer treatment 重庆三峡医药高等专科学校 2024-03-01 CN claimed
CN-117624133-A Dihydroquinoline derivative and application thereof in lung cancer treatment 重庆三峡医药高等专科学校 2024-03-01 CN disclosed
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed