SCHEMBL12685754

SCHEMBL12685754

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c5c6cccc7c8ccccc8c8cccc(c5c4-c4ccccc4)c8c76)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
PTGER4 P35408 1/20 0.34
KMT2A Q03164 2/20 0.33
NPY5R Q15761 2/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HDAC4 P56524 1/20 0.31
RXRA P19793 1/20 0.31
TSHR P16473 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL12685757 0.92 L3MBTL1 (0.44) KDM4EATML3MBTL1KMT2AHDAC4
SCHEMBL12685769 0.91 KDM4E (0.39) KDM4EATML3MBTL1KMT2AHDAC4
SCHEMBL12685975 0.90 KDM4E (0.33) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL20161062 0.88 L3MBTL1 (0.47) KDM4EATML3MBTL1KMT2AHDAC4
SCHEMBL12685759 0.87 L3MBTL1 (0.40) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL12685822 0.86 KDM4E (0.36) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL22143567 0.86 PTGER4 (0.34) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL24677153 0.86 L3MBTL1 (0.45) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL24677163 0.86 L3MBTL1 (0.49) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL24677071 0.86 L3MBTL1 (0.51) KDM4EATML3MBTL1RAC2RAC3

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
US-9029425-B2 Substituted dibenzo[FG,OP]tetracenes and formulations or electronic devices containing the same MERCK PATENT GMBH (DE) 2015-05-12 US disclosed
US-9029425-B2 Substituted dibenzo[FG,OP]tetracenes and formulations or electronic devices containing the same MERCK PATENT GMBH (DE) 2015-05-12 US disclosed
WO-2012107163-A1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2012-08-16 WO disclosed