SCHEMBL19007355

SCHEMBL19007355

CC(C)(O)C(C)(C)OBc1ccccc1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
IDH2 P48735 1/20 0.30
RXRA P19793 1/20 0.30
NR4A2 P43354 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
SCHEMBL21563732 0.95 TSHR (0.39) ADORA1ALOX15TSHRADORA3ADORA2A
SCHEMBL24689415 0.94 MAPT (0.35) ADORA1ALOX15TSHRADORA3ADORA2A
SCHEMBL24028931 0.87 ABCG2 (0.37) ADORA1ALOX15TSHRADORA3ADORA2A
SCHEMBL24689869 0.87 MEN1 (0.43) ADORA1TSHRADORA3ADORA2ALMNA
SCHEMBL24029293 0.83 ABCG2 (0.37) ADORA1ALOX15TSHRADORA3ADORA2A
SCHEMBL27294949 0.83 ALOX15 (0.35) ADORA1ALOX15TSHRADORA3ADORA2A
SCHEMBL27403312 0.82 MEN1 (0.41) ABCG2MEN1MAPTKMT2A
SCHEMBL24028844 0.81 MAPT (0.33) ADORA1ALOX15TSHRADORA3ADORA2A
SCHEMBL19627959 0.80 L3MBTL1 (0.42) ADORA1ALOX15TSHRADORA3ADORA2A
SCHEMBL24034599 0.80 CYP2C9 (0.34) ADORA1ALOX15TSHRADORA3ADORA2A

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
WO-2017105041-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-22 WO disclosed