SCHEMBL7601194

SCHEMBL7601194

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GPR35 Q9HC97 1/20 0.48
KCNMA1 Q12791 7/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 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
SCHEMBL1133326 0.83 CA12 (0.57) ALDH1A1GPR35MAPTSMN1; SMN2LMNA
SCHEMBL4099224 0.82 CA12 (0.56) ALDH1A1GPR35MAPTSMN1; SMN2LMNA
SCHEMBL4103989 0.82 CA12 (0.56) ALDH1A1GPR35MAPTSMN1; SMN2LMNA
Potassium Ion SCHEMBL4099542 0.82 CA12 (0.56) ALDH1A1GPR35MAPTSMN1; SMN2LMNA
SCHEMBL4102815 0.82 CA12 (0.56) ALDH1A1GPR35MAPTSMN1; SMN2LMNA
SCHEMBL619394 0.78 ALDH1A1 (0.57) ALDH1A1GPR35MAPTSMN1; SMN2LMNA
SCHEMBL30460084 0.78 ALDH1A1 (0.57) ALDH1A1GPR35MAPTSMN1; SMN2LMNA
SCHEMBL27633734 0.77 HPGD (0.58) ALDH1A1KCNMA1MAPTSMN1; SMN2LMNA
Dinitro Cresol SCHEMBL622343 0.77 ALDH1A1 (0.66) ALDH1A1GPR35KCNMA1MAPTSMN1; SMN2
SCHEMBL9243462 0.77 ALDH1A1 (0.56) ALDH1A1GPR35MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020110845-A1 Method for the prediction of starch digestion METCON MEDICIN AB 2002-08-15 US claimed
WO-2024015942-A1 METHODS AND COMPOSITIONS FOR TREATING CONGENITAL SUCRASE-ISOMALTASE DEFICIENCY ANAGRAM THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
WO-2023129514-A2 ENVIRONMENTAL BIOSPECIMEN RECOVERY AFTER IN-DROPLET GEL ENCAPSULATION THE TEXAS A&M UNIVERSITY SYSTEM (US) 2023-07-06 WO disclosed
US-20210301249-A1 Compositions and Methods for Inhibiting Growth of Lactic Acid Producing Bacteria UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-09-30 US disclosed