SCHEMBL9728839

SCHEMBL9728839

NC(=O)c1cnn2c1NCC=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.36
NNMT P40261 2/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
RIPK2 O43353 1/20 0.33
MAP2K1 Q02750 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TLR8 Q9NR97 2/20 0.31

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
SCHEMBL30515902 0.70 NNMT (0.36) PLATNNMTKDM4EGAARECQL
SCHEMBL9869560 0.68 RIPK2 (0.38) PLATNNMTKDM4EGAARECQL
Hydrochloric Acid SCHEMBL28692305 0.67 RIPK2 (0.37) PLATNNMTKDM4EGAARECQL
SCHEMBL30335668 0.65 KDM4E (0.55) KDM4EGAARECQLJAK2JAK1
SCHEMBL8335601 0.64 RIPK2 (0.46) KDM4ERIPK2MAP2K1CLK4DYRK1B
SCHEMBL30718275 0.64 BTK (0.47) PLATKDM4EGAARECQLCHRNB2
SCHEMBL1155431 0.59
SCHEMBL23778840 0.58 AURKA (0.46) PLATNNMTRIPK2CHRNB2CHRNA4
SCHEMBL30688555 0.58 SIRT3 (0.38) NNMTSIRT3TDP1PARP1TSHR
SCHEMBL31678255 0.58 SIRT3 (0.38) NNMTSIRT3TDP1PARP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed