SCHEMBL22701903

SCHEMBL22701903

c1ccc(-c2ccc(-c3ccc4sc5c(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccccc87)n6)cccc5c4c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.38
ALOX5 P09917 1/20 0.38
PIM3 Q86V86 3/20 0.35
PIM1 P11309 3/20 0.34
PIM2 Q9P1W9 3/20 0.34
ROCK1 Q13464 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA3 P0DMS8 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ADORA2B P29275 1/20 0.30
PIK3CA P42336 1/20 0.30
PI4KA P42356 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL22701853 1.00 LIMK1 (0.38) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701837 0.98 LIMK1 (0.37) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22329624 0.98 ALOX5 (0.38) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701854 0.97 LIMK1 (0.36) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22329622 0.97 ALOX5 (0.38) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22329623 0.96 LIMK1 (0.35) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701865 0.96 LIMK1 (0.35) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22845410 0.94 ALOX5 (0.39) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22845386 0.94 ALOX5 (0.42) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL24304133 0.94 ALOX5 (0.41) LIMK1ALOX5PIM3PIM1PIM2

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-2020235955-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed