SCHEMBL6863550

SCHEMBL6863550

c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)ccc5-4)c4cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)ccc4-c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc43)cc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.46
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
XBP1 P17861 1/20 0.42
PTBP1 P26599 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
SMAD3 P84022 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP2 O95551 1/20 0.40

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
SCHEMBL5846572 0.89 PDK2 (0.47) PDK2MEN1APAF1NPC1LMNA
SCHEMBL290998 0.89 PDK2 (0.55) PDK2MEN1APAF1NPC1LMNA
SCHEMBL29986604 0.89 PDK2 (0.55) PDK2MEN1APAF1NPC1LMNA
SCHEMBL545091 0.89 PDK2 (0.55) PDK2MEN1APAF1NPC1LMNA
SCHEMBL6863559 0.88 PDK2 (0.47) PDK2MEN1APAF1NPC1LMNA
SCHEMBL5847178 0.88 PDK2 (0.46) PDK2MEN1APAF1NPC1LMNA
SCHEMBL16912961 0.86 PDK2 (0.54) PDK2MEN1APAF1NPC1LMNA
SCHEMBL6861430 0.86 PDK2 (0.46) PDK2MEN1APAF1NPC1LMNA
SCHEMBL4321761 0.83 PDK2 (0.59) PDK2MEN1APAF1NPC1LMNA
SCHEMBL5859559 0.83 PDK2 (0.59) PDK2MEN1APAF1NPC1LMNA

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-0935691-B1 OPTICAL BRIGHTENING AGENT COVION ORGANIC SEMICONDUCTORS (DE) 2004-05-26 EP disclosed
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 US disclosed