SCHEMBL3489697

SCHEMBL3489697

CC(OC(=O)Cl)c1ccc2c(c1[N+](=O)[O-])OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
SRC P12931 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CDK2 P24941 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL774829 0.81 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL3768323 0.80 SRC (0.52) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL4527630 0.80 SRC (0.52) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL12386132 0.77 TXNRD1 (0.40) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL6054284 0.77 TXNRD1 (0.55) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL16724095 0.72 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL1898972 0.72 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL16722824 0.72 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL29901717 0.70 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2KMT2AMEN1
SCHEMBL12050499 0.70 ALDH1A1 (0.60) TXNRD1TXNRD3TXNRD2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056392-A1 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING SAME AND USES THEREOF ENERGY, UNITED STATES DEPARTMENT OF 2010-03-04 US disclosed
US-20080188618-A1 Porous Acrylate Copolymer Films and Uses Therefor ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2008-08-07 US disclosed
EP-1910826-A2 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING AND USING THEREOF Arizona Board of Regents, acting for and on behalf of Arizona State University (US) 2008-04-16 EP disclosed
WO-2006138479-A2 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING AND USING THEREOF ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-12-28 WO disclosed