SCHEMBL17818160

SCHEMBL17818160

c1cc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRK1 P41145 1/20 0.44
PDK2 Q15119 15/20 0.42
THRB P10828 2/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38
PTBP1 P26599 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL30503629 0.94 PDK2 (0.46) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL28427597 0.92 PDK2 (0.50) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL19237140 0.92 PDK2 (0.50) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL2383373 0.88 PDK2 (0.50) PDK2
SCHEMBL26808465 0.87 TDP2 (0.43) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL19020251 0.87 MEN1 (0.38) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL19237178 0.87 PDK2 (0.56) PDK2ESR2
SCHEMBL23873864 0.87 MEN1 (0.44) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL22148377 0.87 MEN1 (0.44) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL21923478 0.87 PDK2 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2

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-20170346028-A1 ORGANIC SEMICONDUCTOR COMPOSITION SOLVAY SA (BE) 2017-11-30 US disclosed
EP-3032599-A1 Organic semiconductor composition Solvay SA (BE) 2016-06-15 EP disclosed