SCHEMBL21666814

SCHEMBL21666814

COc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 3/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ DHODH Q02127 2/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38

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
SCHEMBL10100811 0.80 KDM4E (0.47) SMN1; SMN2HPGDLMNAKDM4EMEN1
SCHEMBL21671601 0.78 KDM4E (0.38) SMN1; SMN2HPGDLMNADHODHKDM4E
SCHEMBL15863107 0.77 KDM4E (0.60) ACACASMN1; SMN2HPGDLMNADHODH
SCHEMBL22115192 0.76 KDM4E (0.59) ACACASMN1; SMN2HPGDLMNADHODH
SCHEMBL15863781 0.75 KDM4E (0.58) ACACASMN1; SMN2HPGDLMNADHODH
SCHEMBL16900164 0.73 SMN1; SMN2 (0.42) SMN1; SMN2HPGDLMNADHODHKDM4E
SCHEMBL21666813 0.72 KDM4E (0.42) ACACAHPGDLMNAKDM4EMEN1
SCHEMBL21290148 0.72 ACACA (0.70) ACACASMN1; SMN2HPGDLMNADHODH
SCHEMBL15863960 0.72 ALDH1A1 (0.51) ACACAHPGDLMNADHODHKDM4E
SCHEMBL65354 0.72 L3MBTL1 (0.55) HPGDKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604296-B1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT LT MATERIALS CO LTD (KR) 2021-07-28 — — EP disclosed
EP-3604296-A1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT Heesung Material Ltd. (KR) 2020-02-05 — — EP disclosed
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