SCHEMBL17907874

SCHEMBL17907874

O=C1c2ccccc2C(=O)c2c(NCCCN(CCO)CCO)ccc(O)c21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.74
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
MAPT P10636 6/20 0.73
LMNA P02545 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
MAPK1 P28482 4/20 0.73
BLM P54132 4/20 0.73
RECQL P46063 3/20 0.73
NPSR1 Q6W5P4 3/20 0.73
L3MBTL1 Q9Y468 3/20 0.73
POLB P06746 3/20 0.73
HTT P42858 3/20 0.73
EGFR P00533 2/20 0.73
ALDH1A1 P00352 2/20 0.73
RAD52 P43351 1/20 0.73
CYP19A1 P11511 1/20 0.62
TOP2B Q02880 1/20 0.56
HIF1A Q16665 2/20 0.55
BRCA1 P38398 1/20 0.55

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
SCHEMBL13592576 0.93 MEN1 (0.82) NQO1MEN1KMT2AMAPTLMNA
SCHEMBL10046652 0.89 NQO1 (0.59) NQO1MEN1KMT2AMAPTLMNA
SCHEMBL6661577 0.88 CYP19A1 (0.80) NQO1MEN1KMT2AMAPTLMNA
SCHEMBL6666259 0.87 CYP19A1 (0.73) NQO1MEN1KMT2AMAPTLMNA
SCHEMBL10046650 0.86 SMN1; SMN2 (0.73) NQO1MEN1KMT2AMAPTLMNA
SCHEMBL8428873 0.85 TOP2B (0.70) NQO1MEN1KMT2AMAPTLMNA
SCHEMBL9369100 0.84 CYP19A1 (0.68) NQO1MEN1KMT2AMAPTLMNA
SCHEMBL20334357 0.83 NQO1 (0.73) NQO1MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL10524991 0.82 CYP19A1 (0.66) NQO1MEN1KMT2AMAPTLMNA
SCHEMBL16318733 0.82 CYP19A1 (0.61) NQO1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828314-B1 IMPROVED ANTHRAQUINONE COLORANT COMPOSITIONS AND METHODS FOR PRODUCING THE SAME MILLIKEN & CO (US) 2016-07-13 EP claimed