SCHEMBL9912919

SCHEMBL9912919

c1ccc(N(c2cccc(-n3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
SIGMAR1 Q99720 6/20 0.36
DHFR P00374 1/20 0.33
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 0.30
HTR6 P50406 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
SCHEMBL13557391 0.96 L3MBTL1 (0.42) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL18980971 0.95 KDM4E (0.46) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL29373277 0.95 L3MBTL1 (0.41) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL1981141 0.95 L3MBTL1 (0.41) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL12559428 0.95 L3MBTL1 (0.41) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL9912942 0.93 SIGMAR1 (0.35) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL9912864 0.93 L3MBTL1 (0.39) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL16773311 0.93 KDM4E (0.42) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL9912918 0.92 SIGMAR1 (0.34) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL1980540 0.92 KDM4E (0.46) L3MBTL1KDM4EATMSIGMAR1DHFR

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-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed