SCHEMBL9999686

SCHEMBL9999686

Nc1cc(N)cc(C(=O)N2CCN(c3ncccn3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
L3MBTL1 Q9Y468 1/20 0.61
SLC6A7 Q99884 10/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 1/20 0.56
SLC6A3 Q01959 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL220133 0.85 L3MBTL1 (0.74) KDM4EL3MBTL1SLC6A7ALDH1A1TSHR
SCHEMBL3104372 0.82 KDM4E (0.77) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27861127 0.77 TSHR (0.69) KDM4ESLC6A7ALDH1A1TSHRLMNA
SCHEMBL13149359 0.76 SLC6A7 (0.92) KDM4EL3MBTL1SLC6A7ALDH1A1TSHR
SCHEMBL95079 0.76 L3MBTL1 (0.74) KDM4EL3MBTL1SLC6A7ALDH1A1TSHR
SCHEMBL29530701 0.75 ALDH1A1 (0.65) KDM4EL3MBTL1SLC6A7ALDH1A1TSHR
SCHEMBL8362169 0.75 KDM4E (0.58) KDM4EL3MBTL1SLC6A7ALDH1A1TSHR
SCHEMBL13149233 0.75 KDM4E (0.71) KDM4EL3MBTL1SLC6A7ALDH1A1TSHR
SCHEMBL27580589 0.75 KDM4E (0.62) KDM4EL3MBTL1SLC6A7ALDH1A1TSHR
SCHEMBL17378234 0.73 NAMPT (0.69) KDM4EL3MBTL1SLC6A7ALDH1A1TSHR

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
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed