SCHEMBL23299579

SCHEMBL23299579

Clc1nc(Cl)nc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 2/20 0.47
▸ KDM4E B2RXH2 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ENPP1 P22413 2/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 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
SCHEMBL20871493 0.94 LIMK1 (0.45) LIMK1KDM4EPOLBCTDSP1ALDH1A1
SCHEMBL22403675 0.91 LIMK1 (0.43) LIMK1KDM4EPOLBCTDSP1ALDH1A1
SCHEMBL20871732 0.88 LIMK1 (0.40) LIMK1KDM4EPOLBCTDSP1ALDH1A1
SCHEMBL30477758 0.88 LIMK1 (0.45) LIMK1KDM4EPOLBCTDSP1ALDH1A1
SCHEMBL20871910 0.86 LIMK1 (0.41) LIMK1KDM4EPOLBCTDSP1ALDH1A1
SCHEMBL20872013 0.86 LIMK1 (0.39) LIMK1KDM4EPOLBCTDSP1ALDH1A1
SCHEMBL22403553 0.86 LIMK1 (0.39) LIMK1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL20871988 0.85 LIMK1 (0.50) LIMK1KDM4EPOLBALDH1A1HPGD
SCHEMBL31122688 0.85 LIMK1 (0.50) LIMK1KDM4EPOLBALDH1A1HPGD
SCHEMBL17425482 0.85 LIMK1 (0.50) LIMK1KDM4EPOLBALDH1A1HPGD

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-2021080368-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-04-29 — — WO disclosed
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