SCHEMBL16772883

SCHEMBL16772883

CCC1OC(n2cc(/C=C/C(=O)NCCN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)CC1OP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TK1 P04183 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL20215608 0.97 TYMS (0.35) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL8739275 0.95 TYMS (0.35) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL16772812 0.93 TYMS (0.36) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL25521863 0.88 CYP1A2 (0.34) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL13403288 0.88 TYMS (0.30) TYMS
SCHEMBL13169261 0.86 TYMS (0.34) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL25521874 0.84 CYP1A2 (0.30) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL29414478 0.83 TYMS (0.30) TYMS
SCHEMBL28636366 0.83 TYMS (0.30) TYMS
SCHEMBL25587551 0.83 TK1 (0.38) TYMSCYP1A2CYP3A4TSHRTK1

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
US-9862989-B2 Nucleic acid probe, method for designing nucleic acid probe, and method for detecting target sequence KABUSHIKI KAISHA DNAFORM (JP) 2018-01-09 US disclosed
US-20150203902-A1 NUCLEIC ACID PROBE, METHOD FOR DESIGNING NUCLEIC ACID PROBE, AND METHOD FOR DETECTING TARGET SEQUENCE KABUSHIKI KAISHA DNAFORM (JP) 2015-07-23 US disclosed
US-20150152496-A1 METHOD FOR ANALYZING TARGET NUCLEIC ACID, KIT, AND ANALYZER KABUSHIKI KAISHA DNAFORM (JP) 2015-06-04 US disclosed