SCHEMBL6676930

SCHEMBL6676930

C#CCNC(=N)Nc1cccc(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
CFD P00746 1/20 0.40
HTR6 P50406 1/20 0.38
AURKB Q96GD4 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
Hydrochloric Acid SCHEMBL6682199 0.99 ENPP2 (0.40) ENPP2LOXL2CFDHTR6AURKB
SCHEMBL6677091 0.84 ENPP2 (0.44) ENPP2LOXL2CFDHTR6AURKB
Hydrochloric Acid SCHEMBL6675347 0.82 ENPP2 (0.43) ENPP2LOXL2CFDHTR6AURKB
SCHEMBL6677797 0.81 MAPT (0.44) ENPP2LOXL2CFDHTR6AURKB
SCHEMBL6676819 0.80 LOXL2 (0.46) ENPP2LOXL2CFDHTR6AURKB
Hydrochloric Acid SCHEMBL6678204 0.80 MAPT (0.43) ENPP2LOXL2CFDHTR6SIGMAR1
Hydrochloric Acid SCHEMBL6677448 0.79 LOXL2 (0.45) ENPP2LOXL2CFDHTR6AURKB
SCHEMBL5080879 0.77 LOXL2 (0.49) ENPP2LOXL2CFDHTR6AURKB
SCHEMBL27823913 0.76 LOXL2 (0.49) ENPP2LOXL2CFDHTR6AURKB
Hydrochloric Acid SCHEMBL7875006 0.75 LOXL2 (0.47) ENPP2LOXL2CFDHTR6AURKB

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed