SCHEMBL6344164

SCHEMBL6344164

[c]1[c]nc2ncccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
PDK1 Q15118 1/20 0.35
MAPK14 Q16539 1/20 0.33
NUDT1 P36639 1/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 2/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 1/20 0.32
CCR1 P32246 1/20 0.32
THPO P40225 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
SCHEMBL29408294 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTLMNACYP3A4
SCHEMBL29358342 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTLMNACYP3A4
SCHEMBL88611 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTLMNACYP3A4
SCHEMBL286502 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTPDK1MAPK14
SCHEMBL160170 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTPDK1MAPK14
SCHEMBL3935824 0.71 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTPDK1MAPK14
SCHEMBL3942387 0.71 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTPDK1MAPK14
Ethyne SCHEMBL27784530 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTLMNACYP3A4
SCHEMBL400612 0.70 MAPT (0.47) ALDH1A1KDM4EMAPTTSHRSMN1; SMN2
SCHEMBL28486850 0.68 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPDK1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946207-B2 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2005-09-20 US claimed
US-20020135292-A1 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2002-09-26 US claimed
US-6946207-B2 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2005-09-20 US disclosed
US-20020135292-A1 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2002-09-26 US disclosed