SCHEMBL7428631

SCHEMBL7428631

CCc1cccc(NC(=N)N(C)c2ccc(F)c3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 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
SCHEMBL6725035 0.85 SIGMAR1 (0.62) SIGMAR1GAAMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7410846 0.84 SIGMAR1 (0.60) SIGMAR1GAAMAPTLMNASMN1; SMN2
SCHEMBL7444132 0.81 SIGMAR1 (0.47) SIGMAR1GAAMAPTSMN1; SMN2GRIN2D
SCHEMBL6719799 0.80 GAA (0.54) SIGMAR1GAAMAPTLMNASMN1; SMN2
SCHEMBL6717017 0.79 SIGMAR1 (0.73) SIGMAR1MAPTLMNA
SCHEMBL6719747 0.78 SIGMAR1 (0.43) SIGMAR1GAAMAPTLMNASMN1; SMN2
SCHEMBL6719354 0.78 SIGMAR1 (0.39) SIGMAR1GAAMAPTLMNA
SCHEMBL7070142 0.77 GAA (0.41) SIGMAR1GAAMAPTLMNASMN1; SMN2
SCHEMBL6717146 0.77 SIGMAR1 (0.51) SIGMAR1GAAMAPTLMNA
SCHEMBL6719727 0.77 SIGMAR1 (0.46) SIGMAR1GAA

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-5262568-A Neuroprotective compounds, high binding affinity for phencyclidine, nervous system disorders STATE OF OREGON (US) 1993-11-16 US claimed