SCHEMBL9912917

SCHEMBL9912917

Cc1cccc(N(c2cccc(-n3c4ccc(N(c5cccc(C)c5)c5cccc6ccccc56)cc4c4cc(N(c5cccc(C)c5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.37
LMNA P02545 2/20 0.35
DHFR P00374 1/20 0.33
VDR P11473 1/20 0.33
PMM2 O15305 2/20 0.33
MPI P34949 2/20 0.33
PHOSPHO1 Q8TCT1 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PLA2G1B P04054 1/20 0.32
HPGD P15428 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAT2A P31153 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL9912948 0.94 SIGMAR1 (0.36) SIGMAR1LMNADHFRVDRMAPT
SCHEMBL9912918 0.93 SIGMAR1 (0.34) SIGMAR1LMNADHFRPMM2MPI
SCHEMBL9912910 0.93 SIGMAR1 (0.37) SIGMAR1LMNADHFRVDRMAPT
SCHEMBL9912974 0.91 SIGMAR1 (0.36) SIGMAR1LMNADHFRTP53MAPT
SCHEMBL9912975 0.91 SIGMAR1 (0.36) SIGMAR1LMNADHFRTP53MAPT
SCHEMBL9912919 0.90 L3MBTL1 (0.38) SIGMAR1DHFRPMM2MPIPHOSPHO1
SCHEMBL18980971 0.88 KDM4E (0.46) SIGMAR1DHFRMAPTL3MBTL1MEN1
SCHEMBL13557391 0.86 L3MBTL1 (0.42) SIGMAR1LMNADHFRMAPTSMN1; SMN2
SCHEMBL9912939 0.86 TDP1 (0.35) SMN1; SMN2L3MBTL1HPGDMAT2A
SCHEMBL9912950 0.85 DHFR (0.33) SIGMAR1DHFRCYP1A2CYP2A6

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