SCHEMBL1673129

SCHEMBL1673129

Cc1cc2[nH]c(=O)ncc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
NQO1 P15559 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4483347 0.73 ALOX15 (0.38) SMN1; SMN2KDM4EMAPTALOX15GLA
SCHEMBL15046540 0.70 NOS1 (0.53) NOS1NOS3NOS2CYP1A2LMNA
SCHEMBL5040720 0.67 SMYD3 (0.40) NOS1NOS3NOS2NQO1SMYD3
SCHEMBL3360077 0.67 DAO (0.46) SMYD3TP53CYP1A2SMN1; SMN2PTGS1
SCHEMBL19153579 0.65 CYP1A2 (0.41) CYP1A2SMN1; SMN2MAPTATAD2BRD4
SCHEMBL2977301 0.65 DAO (0.42) POLB
SCHEMBL19153109 0.64 CYP1A2 (0.44) CYP1A2KDM4EGAAMAPTATAD2
SCHEMBL21691076 0.64 CYP2A6 (0.40) NOS1NOS3NOS2NQO1SMYD3
SCHEMBL25911967 0.64 CYP1A2 (0.37) NOS1NOS3NOS2CYP1A2POLB
SCHEMBL15473324 0.63 NOS1 (0.45) NOS1NOS3NOS2CYP1A2KDM4E

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
US-8309356-B2 Pseudocomplementary oligonucleotides for targeted gene therapy YALE UNIVERSITY (US) 2012-11-13 US disclosed
US-20110086905-A1 Pseudocomplementary Oligonucleotides for Targeted Gene Therapy YALE UNIVERSITY 2011-04-14 US disclosed