SCHEMBL21477950

SCHEMBL21477950

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 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
SCHEMBL21391948 0.99 TSHR (0.36) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL21477957 0.96 ADORA3 (0.33) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL22908061 0.96 ALOX15 (0.35) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL21658434 0.96 ALOX15 (0.35) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL21658425 0.95 TSHR (0.34) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL23814865 0.93 ALOX15 (0.35) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL21658382 0.93 ALOX15 (0.35) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL21658424 0.92 ADORA3 (0.33) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL21658516 0.92 ADORA3 (0.33) ALOX15TSHRADORA3ADORA2AADORA2B
SCHEMBL22908274 0.92 L3MBTL1 (0.33) ALOX15TSHRADORA3ADORA2AADORA2B

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-2019199068-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-17 WO disclosed