SCHEMBL8020035

SCHEMBL8020035

O=C([C]1NCCN1)C1=NCCN1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
NISCH Q9Y2I1 6/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.30

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
SCHEMBL3617453 0.75
SCHEMBL361186 0.75
SCHEMBL2726339 0.73
SCHEMBL11829132 0.72 NISCH (0.50) ALDH1A1NISCHADRA2AADRA2BADRA2C
SCHEMBL3505340 0.70
SCHEMBL11831276 0.67 NISCH (0.42) ALDH1A1NISCHADRA2AADRA2BADRA2C
SCHEMBL11375423 0.67 ADRA2A (0.45) ALDH1A1NISCHADRA2AADRA2BADRA2C
SCHEMBL223938 0.67
SCHEMBL12569541 0.65 NISCH (0.44) ALDH1A1NISCHADRA2AADRA2BADRA2C
SCHEMBL13206778 0.64 ADRA1D (0.47) ALDH1A1NISCHMEN1NPC1TSHR

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-6093723-A AN IMMUNOMODULATOR FOR TREATING AND PREVENTING IMMUNE DISORDERS, INCLUDING AUTOIMMUNE DISEASE, INFLAMMATORY DISEASE, ORGAN TRANSPLANT REJECTION AND OTHER DISORDERS ASSOCIATED WITH IL-2 MEDIATED IMMUNE RESPONSE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-25 US claimed