SCHEMBL890356

SCHEMBL890356

Cn1cc2c(nc1=O)NCC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.33
NNMT P40261 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
CDC7 O00311 2/20 0.31
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31
PARP10 Q53GL7 3/20 0.31
PARP11 Q9NR21 2/20 0.31
PARP1 P09874 2/20 0.31
PDPK1 O15530 1/20 0.31
AR P10275 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL2879783 0.68 PARP1 (0.37) NNMTPARP10PARP11PARP1PDPK1
SCHEMBL23031254 0.67 MEN1 (0.33) CRBN
SCHEMBL13941528 0.66
SCHEMBL18870772 0.64 GRM5 (0.31)
SCHEMBL279310 0.62 UHRF1 (0.43) HTR2CNNMTPARP10PARP11PARP1
SCHEMBL22216146 0.61 DRD4 (0.42) HTR2CPARP10PARP11PARP1PDPK1
SCHEMBL6943002 0.61 PARP1 (0.41) PARP1
SCHEMBL13355386 0.60 NNMT (0.38) HTR2CNNMTEHMT2PARP10PARP11
SCHEMBL14222761 0.60 MAOA (0.37) HTR2CEHMT2
SCHEMBL18612816 0.59 DRD4 (0.41) NNMT

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-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed