SCHEMBL19298696

SCHEMBL19298696

N=C(/C=C\C(=N)c1cccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.37
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ HPGD P15428 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ SMAD3 P84022 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PRMT1 Q99873 1/20 0.30
▸ ACE2 Q9BYF1 1/20 0.30
▸ FTO Q9C0B1 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL20619213 0.97 PDK2 (0.34) PDK2PRSS1PRSS2PRSS3HPGD
SCHEMBL20619211 0.94 PDK2 (0.34) PDK2PRSS1PRSS2PRSS3HPGD
SCHEMBL22841654 0.93 PDK2 (0.39) PDK2PRSS1PRSS2PRSS3
SCHEMBL20619790 0.90 PDK2 (0.36) PDK2PRSS1PRSS2PRSS3
SCHEMBL20618939 0.89 FTO (0.33) PDK2HPGDMEN1MAPTCYP2C19
SCHEMBL19298691 0.89 PDK2 (0.31) PDK2
SCHEMBL24149697 0.89 PRSS1 (0.34) PDK2PRSS1PRSS2PRSS3HPGD
SCHEMBL22841481 0.88 PDK2 (0.36) PDK2PRSS1PRSS2PRSS3
SCHEMBL20619215 0.87 PDK2 (0.31) PDK2
SCHEMBL19298777 0.86 PDK2 (0.36) PDK2PRSS1PRSS2PRSS3

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
EP-3595025-B1 ORGANIC LIGHT EMITTING ELEMENT LG CHEMICAL LTD (KR) 2020-12-30 — — EP disclosed
WO-2019004787-A1 ORGANIC LIGHT EMITTING ELEMENT 주식회사 엘지화학 2019-01-03 — — WO disclosed
WO-2017146466-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2017-08-31 — — WO disclosed
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