SCHEMBL10065044

SCHEMBL10065044

O=P(c1ccccn1)(c1ccccn1)n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ADORA3 P0DMS8 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
SCHEMBL12150826 0.86 CA1 (0.42) CA1CA2LMNAMAPTHTT
SCHEMBL12150833 0.77 MAOA (0.36) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL12150896 0.75 KDM4E (0.36) KDM4EPOLBNPSR1GPR3ALDH1A1
SCHEMBL10065045 0.74 KDM4E (0.33) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL14868044 0.74 KDM4E (0.40) LMNAHTTKDM4ENPC1RAB9A
SCHEMBL12150920 0.71 ALDH1A1 (0.37) TDP1ALDH1A1SLC6A2
SCHEMBL23431347 0.71 NPSR1 (0.44) CA2MAPTHTTKDM4EPOLB
SCHEMBL2735097 0.70 KDM4E (0.35) KDM4EPOLBALDH1A1
SCHEMBL12150652 0.69 GPR3 (0.46) LMNAMAPTHTTKDM4EPOLB
SCHEMBL1204670 0.69 CA1 (0.58) CA1CA2LMNAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
US-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
EP-2403029-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2012-01-04 — — EP disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 — — US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 — — US disclosed
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