SCHEMBL7998958

SCHEMBL7998958

C=CCN(C(=O)OC(C)(C)C)c1cc(OCc2ccccc2)c2ncc(C(=O)OC)cc2c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 2/20 0.34
PPIA P62937 1/20 0.34
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMPD1 P17405 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6324123 0.83 L3MBTL1 (0.40) HPGDLMNAL3MBTL1KDM4ETLR9
SCHEMBL6627247 0.78 PPIA (0.41) HPGDLMNANR1H2PPIAKDM4E
SCHEMBL5865339 0.77 TLR9 (0.33) LMNAL3MBTL1PPIAKDM4ESMN1; SMN2
SCHEMBL5865337 0.77 TLR9 (0.33) LMNAL3MBTL1PPIAKDM4ESMN1; SMN2
SCHEMBL8132245 0.76 MRGPRX4 (0.36) L3MBTL1PPIANPSR1
SCHEMBL12154966 0.74 L3MBTL1 (0.34) HPGDL3MBTL1KDM4ESMN1; SMN2MAPT
SCHEMBL5864960 0.74 TLR9 (0.33) L3MBTL1PPIAKDM4ESMN1; SMN2MAPT
SCHEMBL5864958 0.74 TLR9 (0.33) L3MBTL1PPIAKDM4ESMN1; SMN2MAPT
SCHEMBL6618750 0.73 L3MBTL1 (0.42) HPGDLMNAL3MBTL1KDM4EALDH1A1
SCHEMBL19383383 0.73 TLR9 (0.35) HPGDLMNAL3MBTL1KDM4ETLR9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001083482-A1 DNA ALKYLATING AGENT AND ACTIVATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2001-11-08 WO disclosed