SCHEMBL22876609

SCHEMBL22876609

c1ccc(-c2ccc3ccc(-c4ccc5sc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5c4)cc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
LIMK1 P53667 2/20 0.36
F9 P00740 3/20 0.36
S1PR5 Q9H228 6/20 0.35
S1PR4 O95977 5/20 0.35
SLC9A1 P19634 1/20 0.35
ROCK1 Q13464 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19803044 0.95 PIM3 (0.41) PIM3LIMK1F9SLC9A1ROCK1
SCHEMBL23845695 0.94 S1PR5 (0.40) PIM3ESR1ESR2LIMK1S1PR5
SCHEMBL19803139 0.94 PIM3 (0.40) PIM3LIMK1F9SLC9A1ROCK1
SCHEMBL25645894 0.92 PIM3 (0.40) PIM3LIMK1F9SLC9A1ROCK1
SCHEMBL25645893 0.92 LIMK1 (0.39) PIM3LIMK1F9SLC9A1ROCK1
SCHEMBL24216142 0.92 LIMK1 (0.39) PIM3LIMK1F9SLC9A1ROCK1
SCHEMBL24230818 0.92 LIMK1 (0.39) PIM3LIMK1F9SLC9A1ROCK1
SCHEMBL25645897 0.92 LIMK1 (0.39) PIM3LIMK1F9SLC9A1ROCK1
SCHEMBL24216850 0.91 LIMK1 (0.40) PIM3LIMK1F9SLC9A1ROCK1
SCHEMBL22329188 0.91 LIMK1 (0.40) PIM3LIMK1F9SLC9A1ROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-20210009894-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 US disclosed