SCHEMBL8602186

SCHEMBL8602186

NC(=O)C(CC(=O)O)c1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
KDM4E B2RXH2 2/20 0.39
NAPRT Q6XQN6 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
LMNA P02545 4/20 0.35
BAZ2B Q9UIF8 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
HSP90AA1 P07900 1/20 0.31
PSMB11 A5LHX3 1/20 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
SCHEMBL2436013 0.81 GAA (0.43) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL8602182 0.80 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL16150119 0.79 KDM4E (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL28114415 0.75 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL7355550 0.74 RECQL (0.47) KDM4ENAPRTLMNAKMT2AEPHX1
SCHEMBL13884664 0.73 ADORA3 (0.48) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL28510289 0.72 KDM4E (0.38) ADORA3TSHRMC4RADRA1AMC3R
Hydrochloric Acid SCHEMBL3975912 0.72 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL1838866 0.72 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL27860660 0.72 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R

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-5807859-A ANTIISCHEMIC AGENTS; BRAIN DISORDERS RHONE-POULENC RORER S.A. (FR) 1998-09-15 US disclosed