SCHEMBL6423807

SCHEMBL6423807

NC1=C2C=CC=CN2CC=C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL28986086 0.75 KDM4E (0.33) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL29104904 0.75 KDM4E (0.33) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL23430419 0.75 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL7450281 0.75 KDM4E (0.31) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL27274828 0.72 KDM4E (0.33) ALDH1A1MAPTKDM4EMEN1HPGD
Hydrochloric Acid SCHEMBL27281219 0.71 KDM4E (0.32) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL15174742 0.71 KDM4E (0.45) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL3547581 0.71 KDM4E (0.34) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL9693375 0.71 KDM4E (0.31) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL6005148 0.71 KDM4E (0.31) ALDH1A1MAPTKDM4EMEN1HPGD

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
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US claimed