SCHEMBL12150704

SCHEMBL12150704

O=P(c1ccnc(N(c2ccccc2)c2ccccc2)n1)(c1ccnc(N(c2ccccc2)c2ccccc2)n1)c1ccnc(N(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ TSHR P16473 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL12150745 0.92 ALDH1A1 (0.43) ALDH1A1TDP1TSHRMAPTHTT
SCHEMBL12150788 0.92 ALDH1A1 (0.43) ALDH1A1TDP1TSHRMAPTHTT
SCHEMBL12150854 0.85 ALDH1A1 (0.43) ALDH1A1TDP1TSHRMAPTHTT
SCHEMBL12150918 0.85 ALDH1A1 (0.43) ALDH1A1TDP1TSHRMAPTHTT
SCHEMBL12150857 0.78 ALDH1A1 (0.37) ALDH1A1TDP1TSHR
SCHEMBL185649 0.73 MEN1 (0.36) ALDH1A1TDP1MAPTHTTMEN1
SCHEMBL12484549 0.72 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMAPTHTT
SCHEMBL4582422 0.71 TDP1 (0.54) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL12150682 0.70 ALDH1A1 (0.38) ALDH1A1TDP1MAPTHTTMEN1
SCHEMBL77495 0.69 ALDH1A1 (0.70) ALDH1A1TDP1TSHRMAPTHTT

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 4 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
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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