SCHEMBL21756070

SCHEMBL21756070

C=C(/N=C(\N=C(/N)Cl)c1ccccc1)n1c2ccccc2c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ AGTR1 P30556 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CYP19A1 P11511 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CA9 Q16790 1/20 0.30
▸ PRSS1 P07477 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
SCHEMBL12675074 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL25643992 0.75 POLB (0.46) P2RX4LMNAMAPTHTTALDH1A1
SCHEMBL12920098 0.74 BLM (0.39) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL13466276 0.71 KDM4E (0.39) KDM4EATML3MBTL1
SCHEMBL23838481 0.70 L3MBTL1 (0.38) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL22415254 0.70 KDM4E (0.38) LMNAMAPTALDH1A1HPGDNPSR1
SCHEMBL25644002 0.69 POLB (0.50) LMNAMAPTHTTALDH1A1KMT2A
SCHEMBL20114265 0.69 MEN1 (0.35) MAPTALDH1A1KMT2AMEN1ELANE
SCHEMBL20114166 0.69 TSPO (0.34) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL10039291 0.69 L3MBTL1 (0.40) MAPTHTTALDH1A1KMT2AMEN1

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-2020040571-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 — — WO disclosed
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