SCHEMBL9458235

SCHEMBL9458235

CCN(CC)c1ccc(/C=N/NC(=N)C(=N)N/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.70
KDM4E B2RXH2 14/20 0.70
ALDH1A1 P00352 11/20 0.70
HPGD P15428 7/20 0.70
GAA P10253 5/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
LMNA P02545 8/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
ALOX12 P18054 1/20 0.64
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TP53 P04637 2/20 0.62
HTT P42858 7/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
HCRTR1 O43613 1/20 0.61
MAPK1 P28482 1/20 0.61
CRHBP P24387 1/20 0.60

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
SCHEMBL6741369 0.89 MAPT (0.68) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL6741363 0.89 MAPT (0.68) MAPTKDM4EALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL5703112 0.88 MAPT (0.67) MAPTKDM4EALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL5703118 0.88 MAPT (0.67) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4322243 0.84 MAPT (0.75) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4322240 0.84 MAPT (0.75) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL28377843 0.82 MAPT (0.72) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL28215466 0.81 MAPT (0.67) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL8343548 0.80 MAPT (0.69) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL8343557 0.80 MAPT (0.69) MAPTKDM4EALDH1A1HPGDGAA

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
US-5204311-A Yellow colored coordination compounds of transition metals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-04-20 US disclosed
EP-0531020-A1 Ethanediimidic acid bis arylalkylidene)hydrazide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-03-10 EP disclosed