SCHEMBL22700404

SCHEMBL22700404

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6c(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccccc9)cc8)n7)cccc6c5c4)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
LIMK1 P53667 3/20 0.42
PIM3 Q86V86 2/20 0.39
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
ADORA2B P29275 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL22330295 1.00 ALOX5 (0.45) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22329723 1.00 ALOX5 (0.45) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22329253 0.99 ALOX5 (0.46) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL25645921 0.97 LIMK1 (0.43) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22330124 0.97 LIMK1 (0.43) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22330086 0.97 LIMK1 (0.43) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22329779 0.97 LIMK1 (0.45) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL17425601 0.97 LIMK1 (0.45) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL17425622 0.97 LIMK1 (0.45) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL25645920 0.97 LIMK1 (0.45) ALOX5LIMK1PIM3PIM1PIM2

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