SCHEMBL14629329

SCHEMBL14629329

N#Cc1ncc2sccc2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
RPS6KA5 O75582 1/20 0.32
LMNA P02545 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
SCHEMBL6105107 0.75 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL2369332 0.72 EGLN2 (0.31) RPS6KA5LMNA
SCHEMBL29861959 0.71 ADORA2A (0.42) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL30960690 0.71 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL996451 0.71 ADORA2A (0.42) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL30637303 0.71 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL358864 0.71 ADORA2A (0.42) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL4184827 0.71 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL2162809 0.71 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL7535290 0.70 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDPPARG

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
EP-1739081-A1 HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-03 EP disclosed