SCHEMBL3665116

SCHEMBL3665116

COc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCCC3C(OC(N)=O)C(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 6/20 0.34
BRD4 O60885 4/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSF1 Q00613 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SYK P43405 2/20 0.31
JAK2 O60674 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
SCHEMBL3667380 0.88 MAPK8 (0.33) SYK
SCHEMBL3666540 0.77 TXNRD1 (0.35) TXNRD1BRD4POLBNPC1RAB9A
SCHEMBL3027641 0.77 KDM4C (0.39) TXNRD1
SCHEMBL3666543 0.77 HTR6 (0.41) TXNRD1
SCHEMBL3027646 0.77 KDM4C (0.39) TXNRD1
SCHEMBL3665118 0.74 POLB (0.34) TXNRD1BRD4POLBNPC1RAB9A
SCHEMBL7876716 0.67 MAPK1 (0.48) TXNRD1RAB9AMAPTMEN1KMT2A
SCHEMBL10652127 0.66 MEN1 (0.45) TXNRD1RAB9AMAPTMEN1KMT2A
SCHEMBL2175387 0.66 TXNRD1 (0.44) TXNRD1NPC1RAB9AMAPTMEN1
SCHEMBL10708935 0.66 MAOA (0.48) TXNRD1POLBRAB9AALDH1A1MAPT

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
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed