SCHEMBL11344405

SCHEMBL11344405

O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C1CCC(O)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
DDB1 Q16531 1/20 0.57
CRBN Q96SW2 1/20 0.57
S100A4 P26447 2/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43

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
SCHEMBL5669514 0.88 KMT2A (0.73) KMT2AMEN1DDB1CRBNS100A4
Hydrochloric Acid SCHEMBL4713500 0.86 KMT2A (0.70) KMT2AMEN1DDB1CRBNS100A4
Hydrochloric Acid SCHEMBL3186294 0.86 KMT2A (0.70) KMT2AMEN1DDB1CRBNS100A4
Hydrochloric Acid SCHEMBL31259812 0.83 KMT2A (0.67) KMT2AMEN1DDB1CRBNS100A4
SCHEMBL31259804 0.82 KMT2A (0.68) KMT2AMEN1DDB1CRBNS100A4
Hydrochloric Acid SCHEMBL31259774 0.80 KMT2A (0.62) KMT2AMEN1DDB1CRBNS100A4
SCHEMBL31259798 0.79 KMT2A (0.71) KMT2AMEN1DDB1CRBNS100A4
Hydrochloric Acid SCHEMBL31259818 0.79 KMT2A (0.61) KMT2AMEN1DDB1CRBNS100A4
Hydrochloric Acid SCHEMBL31259786 0.79 KMT2A (0.61) KMT2AMEN1DDB1CRBNS100A4
Hydrochloric Acid SCHEMBL31259815 0.79 KMT2A (0.61) KMT2AMEN1DDB1CRBNS100A4

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-0002181-B1 3- AND 4-AZIDOPHTHALIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION CIBA-GEIGY AG (CH) 1981-07-22 EP disclosed
US-4250096-A PHOTOCROSSLINKABLE POLYMERS; PRINTED CIRCUITS; PRINTING PLATES CIBA-GEIGY CORPORATION (US) 1981-02-10 US disclosed
EP-0002181-A2 3- and 4-Azidophthalic acid derivatives and process for their preparation CIBA-GEIGY AG (CH) 1979-06-13 EP disclosed