SCHEMBL3666540

SCHEMBL3666540

COc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCCC3COC(=O)NC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 8/20 0.35
KDM4C Q9H3R0 5/20 0.35
NR3C1 P04150 1/20 0.33
POLB P06746 1/20 0.33
HTR6 P50406 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSF1 Q00613 1/20 0.32
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3665118 0.88 POLB (0.34) TXNRD1KDM4CPOLBHTR6NPC1
SCHEMBL3666543 0.85 HTR6 (0.41) TXNRD1KDM4CNR3C1HTR6
SCHEMBL3027646 0.83 KDM4C (0.39) TXNRD1KDM4CNR3C1HTR6
SCHEMBL3027641 0.83 KDM4C (0.39) TXNRD1KDM4CNR3C1HTR6
SCHEMBL3665116 0.77 TXNRD1 (0.34) TXNRD1POLBNPC1RAB9AALDH1A1
SCHEMBL3667381 0.75 KDM4C (0.35) KDM4CHTR6
SCHEMBL3025404 0.70 KDM4C (0.40) KDM4C
SCHEMBL17378828 0.68 HTR6 (0.45) KDM4CHTR6
SCHEMBL31055976 0.68 BDKRB1 (0.36) POLBNPC1RAB9AHSF1BRD4
SCHEMBL10652127 0.67 MEN1 (0.45) TXNRD1RAB9AMEN1KMT2A

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