SCHEMBL19843473

SCHEMBL19843473

Cc1nc(C)nc(-c2cccc3c4cccc(-c5nc(C)nc(C)n5)c4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.40
▸ PDE6D O43924 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PDCD1 Q15116 7/20 0.37
▸ CD274 Q9NZQ7 7/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPSE Q9Y251 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ BRCA1 P38398 1/20 0.34

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
SCHEMBL19843474 0.95 TYMS (0.46) TYMSALDH1A1PDE6DNR1H2HSD17B10
SCHEMBL19843331 0.93 TYMS (0.45) TYMSALDH1A1PDE6DNR1H2HSD17B10
SCHEMBL19842953 0.93 NR1H2 (0.45) TYMSALDH1A1PDE6DNR1H2HSD17B10
SCHEMBL19843604 0.91 TYMS (0.46) TYMSALDH1A1PDE6DNR1H2HSD17B10
SCHEMBL23476538 0.89 TYMS (0.42) TYMSALDH1A1PDE6DHTTHPSE
SCHEMBL19843195 0.89 TYMS (0.39) TYMSALDH1A1PDE6DNR1H2HSD17B10
SCHEMBL19843403 0.89 PDE6D (0.49) TYMSALDH1A1PDE6DHTTPOLB
SCHEMBL19843333 0.89 TYMS (0.43) TYMSALDH1A1PDE6DNR1H2HSD17B10
SCHEMBL19842411 0.88 TYMS (0.51) TYMSALDH1A1PDE6DNR1H2HSD17B10
SCHEMBL19843257 0.88 TYMS (0.39) TYMSALDH1A1PDE6DNR1H2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494112-B1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-04-20 — — EP disclosed
WO-2018024725-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 — — WO disclosed
EP-3279194-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-07 — — EP disclosed
Send feedback