SCHEMBL7947232

SCHEMBL7947232

Nc1ccccc1N(CCO)CCN(CCO)c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PABPC1 P11940 1/20 0.46
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
TSHR P16473 3/20 0.34
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2521854 0.98 MEN1 (0.47) MEN1KMT2APABPC1MAPTGAA
Bromide SCHEMBL7638038 0.89 MEN1 (0.40) MEN1KMT2APABPC1MAPTGAA
Sulfuric Acid SCHEMBL7197805 0.89 MEN1 (0.49) MEN1KMT2APABPC1MAPTGAA
SCHEMBL8592280 0.86 MEN1 (0.39) MEN1KMT2APABPC1MAPTCYP3A4
SCHEMBL2896836 0.77 DRD3 (0.38) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL8524753 0.77 CYP3A4 (0.38) MEN1KMT2AMAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL8509046 0.75 HDAC3 (0.37) MEN1KMT2AMAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL6535445 0.75 HDAC3 (0.37) MEN1KMT2AMAPTCYP3A4ALOX15
SCHEMBL29915571 0.73 MEN1 (0.52) MEN1KMT2APABPC1MAPTGAA
SCHEMBL844525 0.73 ALDH1A1 (0.35) MEN1KMT2APABPC1MAPTGAA

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
US-6241784-B1 COSMETICS OR SKIN COMPOSITION FOR TREATING FIBERS L'OREAL S.A. (FR) 2001-06-05 US claimed
US-4520093-A COMPENSATING PIGMENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-28 US disclosed
US-4211561-A SILVER HALIDE EMULSIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-08 US disclosed