SCHEMBL8602182

SCHEMBL8602182

NC(=O)CC(C(=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 3/20 0.39
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 4/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
BAZ2B Q9UIF8 1/20 0.34
THRB P10828 1/20 0.34
CPB2 Q96IY4 5/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
HSP90AA1 P07900 1/20 0.31
CPB1 P15086 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
SCHEMBL8602186 0.80 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL17761318 0.78 ADORA3 (0.43) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL28114415 0.75 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2436013 0.75 GAA (0.43) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL7355559 0.74 TBXAS1 (0.44) LMNAHTTHPGD
Pyrazine SCHEMBL4235261 0.73 KDM4E (0.45) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL25660372 0.73 KDM4E (0.45) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL16150119 0.72 KDM4E (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL11678794 0.72 KDM4E (0.48) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL7363501 0.72 KDM4E (0.50) KDM4ENAPRTLMNACPB2

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