SCHEMBL22700552

SCHEMBL22700552

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5nc(-c6ccccc6)nc(-c6cccc7sc8ccccc8c67)n5)c34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.40
ALOX5 P09917 1/20 0.40
TSHR P16473 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX15 P16050 1/20 0.37
ADORA2B P29275 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20983142 0.97 ALOX5 (0.44) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL2879715 0.96 LIMK1 (0.43) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL21149232 0.95 ALOX5 (0.45) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL23349700 0.95 ALOX5 (0.42) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL21615970 0.94 LIMK1 (0.40) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL22330284 0.94 ALOX5 (0.46) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL22700534 0.94 ALOX5 (0.46) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL17252438 0.94 GPR3 (0.41) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL24266825 0.94 GPR3 (0.41) LIMK1ALOX5TSHRADORA2AADORA1
SCHEMBL22329248 0.93 LIMK1 (0.41) LIMK1ALOX5TSHRADORA2AADORA1

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-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed