SCHEMBL28844571

SCHEMBL28844571

Cc1cccc(Cc2ccsc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
LTA4H P09960 1/20 0.42
IDO1 P14902 2/20 0.42
DAO P14920 2/20 0.41
MPO P05164 1/20 0.40
MAPK8 P45983 1/20 0.40
ACHE P22303 1/20 0.38
SLC5A2 P31639 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL21205152 0.83 TAAR1 (0.45) TAAR1IDO1MPO
SCHEMBL1263547 0.76 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL29459538 0.76 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL30000562 0.76 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL8094710 0.76 TAAR1 (0.47) TAAR1IDO1DAOMPOACHE
SCHEMBL2094961 0.73 TAAR1 (0.48) TAAR1IDO1DAOMPOACHE
SCHEMBL27806708 0.73 TAAR1 (0.44) TAAR1LTA4HIDO1DAOMPO
SCHEMBL6560649 0.73 ABL1 (0.49) TAAR1LTA4HIDO1DAOABL1
SCHEMBL17398826 0.72 TAAR1 (0.41) TAAR1LTA4HIDO1DAOMPO
SCHEMBL8093804 0.72 TAAR1 (0.56) TAAR1LTA4HIDO1DAOACHE

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
CN-106999479-A It can be used as the heteroaryl compound of SUMO activating enzyme inhibitors 米伦纽姆医药公司 2017-08-01 CN disclosed