SCHEMBL6750424

SCHEMBL6750424

O=C(O)N(C(=O)O)C(c1ccccc1)C(c1ccccc1)N(C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
SRC P12931 1/20 0.48
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AOC3 Q16853 4/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL4465930 0.76 ALOX5 (0.57) CYP2D6SRCLMNAMAPK1ALOX5
SCHEMBL28645044 0.75 ALOX5 (0.42) CYP2D6SRCAOC3ALOX5
SCHEMBL18586628 0.72 GABBR2 (0.48) CYP2D6SRCLMNAMAPK1
SCHEMBL465969 0.70 TDP1 (0.61) CYP2D6SRCLMNAMAPK1CES2
SCHEMBL15955097 0.70 ALOX5 (0.65) LMNAALOX5
SCHEMBL644556 0.70 CYP2D6 (0.43) CYP2D6SRCLMNAMAPK1CES2
Phosphine SCHEMBL28775755 0.69 TDP1 (0.58) CYP2D6SRCLMNAMAPK1CES2
SCHEMBL10595560 0.69 SRC (0.46) CYP2D6SRCLMNAMAPK1AOC3
SCHEMBL10820763 0.69 CYP2D6 (0.41) CYP2D6SRCLMNAMAPK1CES2
SCHEMBL25416134 0.68 TRPM8 (0.54) CYP2D6LMNAMAPK1AOC3ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226272-A2 DOUBLE-STRAND NUCLEIC ACID PROBES AND THE USE THEREOF Nanogen Recognomics GmbH (DE) 2002-07-31 EP claimed
WO-2001031057-A2 DOUBLE-STRAND NUCLEIC ACID PROBES AND THE USE THEREOF NANOGEN RECOGNOMICS GMBH (DE) 2001-05-03 WO claimed
US-20040170990-A1 Intracellular nucleic acid inhibitors of small guanine nucleotide exchange factors WALDEMAR KOLANUS (DE) 2004-09-02 US disclosed