SCHEMBL12296041

SCHEMBL12296041

Bc1cc2c3c(ccc4c5c(B)cc6c7c(ccc(c1c34)c75)C(=O)OC6=O)C(=O)OC2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 8/20 0.41
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TERT O14746 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
SCHEMBL14290229 0.91 TYMS (0.35) TYMSALOX15TDP1
SCHEMBL24166827 0.79 TYMS (0.42) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL13470504 0.79 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL4324585 0.78 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL1188564 0.78 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL2607526 0.78 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL32670397 0.78 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL29580210 0.78 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL31185814 0.75 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL13009255 0.75 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1

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
EP-2104699-B1 POLY(OXYALKYLENE)ATED COLORANTS AND THEIR USE AS FLUORESCENT SECURITY TAGGANTS SUN CHEMICAL CORP (US) 2015-10-14 — — EP disclosed
WO-2011117849-A1 THIENOCORONENE-IMIDE SEMICONDUCTING COMPOUNDS AND POLYMERS BASF SE (DE) 2011-09-29 — — WO disclosed
WO-2010012710-A1 PERYLENE TETRACARBOXIMIDE DERIVATIVES FOR PHOTOVOLTAIC DEVICES SOLVAY SA (BE) 2010-02-04 — — WO disclosed
WO-2009158553-A2 FILM AND DEVICE USING LAYER BASED ON RIBTAN MATERIAL CARBEN SEMICON LIMITED (CY) 2009-12-30 — — WO disclosed
WO-2008067445-A2 POLY(OXYALKYLENE)ATED COLORANTS AND THEIR USE AS FLUORESCENT SECURITY TAGGANTS SUN CHEMICAL CORPORATION (US) 2008-06-05 — — WO disclosed
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