SCHEMBL17452014

SCHEMBL17452014

S=P(c1ccccc1)(c1ccc(-c2cccc3cccnc23)cc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.42
▸ ENPP1 P22413 1/20 0.41
▸ MMP9 P14780 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ MTOR P42345 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
SCHEMBL17452007 0.86 TOP1 (0.47) TOP1MMP9KDM4ELMNAMAPT
SCHEMBL17451947 0.86 TOP1 (0.44) TOP1ENPP1MMP9KDM4ELMNA
SCHEMBL17452011 0.83 TOP1 (0.44) TOP1MMP9KDM4ELMNAMAPT
SCHEMBL17452016 0.83 TOP1 (0.41) TOP1MMP9KDM4ELMNAMAPT
SCHEMBL17452009 0.78 NOTUM (0.41) TOP1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL17451986 0.78 ENPP1 (0.47) TOP1ENPP1MMP9KDM4ELMNA
SCHEMBL17452010 0.76 TOP1 (0.46) TOP1KDM4EMAPTSMN1; SMN2GMNN
SCHEMBL12074320 0.75 MMP2 (0.56) TOP1ENPP1MMP9KDM4ELMNA
SCHEMBL30592746 0.75 MMP2 (0.56) TOP1ENPP1MMP9KDM4ELMNA
SCHEMBL4148271 0.75 MMP2 (0.60) TOP1ENPP1MMP9KDM4ELMNA

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
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
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