SCHEMBL1697684

SCHEMBL1697684

C=Cc1ccc(-c2ccc3c(c(N)cc4c5ccccc5c(N)cc34)c2-c2ccc(C=C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.40
▸ HDAC2 Q92769 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 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
SCHEMBL14913167 0.82 HPRT1 (0.39) HPRT1HDAC2ALDH1A1TSHR
SCHEMBL606994 0.79 HPRT1 (0.40) HPRT1ALDH1A1
SCHEMBL29906499 0.79 HPRT1 (0.40) HPRT1ALDH1A1
SCHEMBL2119505 0.79 HPRT1 (0.40) HPRT1ALDH1A1
SCHEMBL3633230 0.75 HPRT1 (0.41) HPRT1ALDH1A1TSHR
SCHEMBL311941 0.73 ALDH1A1 (0.46) HPRT1HDAC2ALDH1A1TSHR
SCHEMBL14912455 0.71 HDAC2 (0.33) HPRT1HDAC2
Ammonia Solution, Strong SCHEMBL28349626 0.70 HPRT1 (0.47) HPRT1ALDH1A1
SCHEMBL16174757 0.70 ALDH1A1 (0.42) HDAC2ALDH1A1TSHR
SCHEMBL648324 0.67 ALDH1A1 (0.39) HDAC2ALDH1A1TSHR

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
EP-2566932-A1 POLYMER-BASED ORGANIC ELECTROLUMINESCENT DEVICE Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-13 — — EP disclosed
WO-2011137492-A1 POLYMER-BASED ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 — — WO disclosed
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