SCHEMBL12856754

SCHEMBL12856754

c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3cccc(-c4cc(-c5ccccc5)ccc4-n4c5ccccc5c5ccccc54)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
SMAD3 P84022 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12856725 1.00 ATM (0.41) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL20865079 0.95 ATM (0.42) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL21165689 0.93 L3MBTL1 (0.44) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL21146935 0.90 MEN1 (0.36) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL21146936 0.90 MEN1 (0.36) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL21147416 0.90 MEN1 (0.36) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL21147405 0.90 MEN1 (0.36) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL21146945 0.90 MEN1 (0.36) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL21147265 0.90 MEN1 (0.36) ATML3MBTL1KDM4EALDH1A1MEN1
SCHEMBL24947191 0.90 TAAR1 (0.41) ATML3MBTL1KDM4EMEN1KMT2A

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-2272828-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-06-27 EP disclosed
US-8859109-B2 Compound for organic electroluminescent device and organic electroluminescent device using the same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-10-14 US disclosed
US-8859109-B2 Compound for organic electroluminescent device and organic electroluminescent device using the same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-10-14 US disclosed
US-20110024735-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-02-03 US disclosed
US-20110024735-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-02-03 US disclosed