SCHEMBL6677797

SCHEMBL6677797

CCCNC(=N)Nc1cccc(CN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ENPP2 Q13822 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.41
SIGMAR1 Q99720 4/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
LMNA P02545 1/20 0.41
CFD P00746 1/20 0.41
KMT2A Q03164 1/20 0.40
PARP1 P09874 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
HTR6 P50406 1/20 0.38
EPHX1 P07099 1/20 0.38

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 SCHEMBL6678204 0.99 MAPT (0.43) MAPTENPP2LOXL2SIGMAR1GRIN2D
SCHEMBL6677091 0.88 ENPP2 (0.44) MAPTENPP2LOXL2SIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL6675347 0.87 ENPP2 (0.43) ENPP2LOXL2SIGMAR1GRIN2DGRIN3B
SCHEMBL6676819 0.81 LOXL2 (0.46) ENPP2LOXL2SIGMAR1GRIN2DGRIN3B
SCHEMBL6676930 0.81 ENPP2 (0.41) ENPP2LOXL2SIGMAR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6677448 0.80 LOXL2 (0.45) ENPP2LOXL2SIGMAR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6682199 0.80 ENPP2 (0.40) ENPP2LOXL2SIGMAR1CFDHTR6
SCHEMBL5080879 0.78 LOXL2 (0.49) ENPP2LOXL2SIGMAR1GRIN2DGRIN3B
SCHEMBL10824122 0.77 KMT2A (0.62) MAPTKMT2AEPHX1
SCHEMBL27823913 0.77 LOXL2 (0.49) ENPP2LOXL2SIGMAR1GRIN2DGRIN3B

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