SCHEMBL2735501

SCHEMBL2735501

O=P(c1ccccc1)(c1cccc(N(c2ccccc2)c2ccccc2)n1)c1cccc(N(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNN4 O15554 2/20 0.33
POLB P06746 1/20 0.33
ACHE P22303 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL12150733 0.97 ALDH1A1 (0.35) KCNA5HTTLMNARECQLMEN1
SCHEMBL12150761 0.97 KCNA5 (0.35) KCNA5HTTLMNARECQLMEN1
SCHEMBL12150775 0.94 ALDH1A1 (0.35) KCNA5HTTLMNARECQLMEN1
SCHEMBL185649 0.91 MEN1 (0.36) KCNA5HTTMEN1KMT2AALDH1A1
SCHEMBL12150754 0.91 LMNA (0.34) KCNA5HTTLMNARECQLMEN1
SCHEMBL12150728 0.90 LMNA (0.32) KCNA5LMNA
SCHEMBL12150682 0.88 ALDH1A1 (0.38) HTTMEN1KMT2AALDH1A1TDP1
SCHEMBL12150784 0.88 LMNA (0.34) KCNA5HTTLMNARECQLMEN1
SCHEMBL12150765 0.87 LMNA (0.32) KCNA5LMNA
SCHEMBL12150735 0.83 KDM4E (0.39) NPSR1

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