SCHEMBL21743375

SCHEMBL21743375

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
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
SCHEMBL21743629 0.97 ADORA3 (0.34) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21743584 0.96 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21743614 0.94 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21743373 0.93 MEN1 (0.33) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21743579 0.92 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21743633 0.92 MEN1 (0.33) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21743386 0.91 MEN1 (0.32) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21391948 0.90 TSHR (0.36) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21744106 0.90 MEN1 (0.31) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL21743383 0.90 MEN1 (0.35) ADORA2AADORA1TSHRKDM4EMEN1

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-2020036313-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed