SCHEMBL8500035

SCHEMBL8500035

CCCCOC(=O)NOC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 2/20 0.49
XBP1 P17861 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL11527944 0.95 MEN1 (0.55) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11525183 0.88 GAA (0.55) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3389458 0.86 KMT2A (0.57) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11059841 0.84 MEN1 (0.61) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL2820949 0.82 ESR1 (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5710076 0.82 ESR1 (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2822090 0.82 ESR1 (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL12067867 0.80 LMNA (0.54) KMT2AMAPTLMNASMN1; SMN2HPGD
SCHEMBL11673189 0.80 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2HPGDCYP1A2
SCHEMBL9412084 0.80 MEN1 (0.48) MEN1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11043474-A None JP disclosed
JP-H1143474-A PRODUCTION OF AMINOBENZENE COMPOUND TAKEDA CHEM IND LTD 1999-02-16 JP disclosed