SCHEMBL9833089

SCHEMBL9833089

O=C(O)c1cc([N+](=O)[O-])ccc1NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
KMT2A Q03164 5/20 0.68
CDK2 P24941 9/20 0.67
MEN1 O00255 4/20 0.67
ALDH1A1 P00352 3/20 0.67
NPC1 O15118 1/20 0.67
TRPA1 O75762 1/20 0.67
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
THPO P40225 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
HSD17B10 Q99714 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
GAA P10253 1/20 0.65
PLA2G1B P04054 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59

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
SCHEMBL9835626 0.87 MAPT (0.68) MAPTKMT2ACDK2MEN1ALDH1A1
SCHEMBL3029764 0.82 MAPT (1.00) MAPTKMT2ACDK2MEN1ALDH1A1
SCHEMBL3462629 0.81 MAPT (0.64) MAPTKMT2ACDK2MEN1ALDH1A1
SCHEMBL10847428 0.81 KMT2A (1.00) MAPTKMT2ACDK2MEN1ALDH1A1
SCHEMBL14502631 0.80 KMT2A (0.77) MAPTKMT2ACDK2MEN1ALDH1A1
SCHEMBL17505169 0.80 KMT2A (0.77) MAPTKMT2ACDK2MEN1ALDH1A1
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb] SCHEMBL159244 0.80 MAPT (1.00) MAPTKMT2ACDK2MEN1ALDH1A1
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb] SCHEMBL29375101 0.80 MAPT (1.00) MAPTKMT2ACDK2MEN1ALDH1A1
SCHEMBL4212246 0.79 MAPT (1.00) MAPTKMT2ACDK2MEN1ALDH1A1
SCHEMBL4217741 0.79 MAPT (0.93) MAPTKMT2ACDK2MEN1ALDH1A1

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
EP-0210574-B1 N-SUBSTITUTED 5-NITRO ANTHRANILIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
US-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed
EP-0210574-A2 N-substituted 5-nitro anthranilic acids, process for their preparation, their use and pharmaceutical compositions based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1987-02-04 EP disclosed