SCHEMBL5612934

SCHEMBL5612934

CN(C)c1ncc2ncc(=O)[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.47
CASP1 P29466 15/20 0.47
CASP7 P55210 15/20 0.47
ALDH1A1 P00352 15/20 0.47
HSD17B10 Q99714 13/20 0.47
HPGD P15428 6/20 0.47
CYP2D6 P10635 4/20 0.47
CLK4 Q9HAZ1 5/20 0.42
MAPK1 P28482 5/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 6/20 0.39
BRD9 Q9H8M2 1/20 0.39
CYP2C19 P33261 5/20 0.38
HIF1A Q16665 3/20 0.38
LMNA P02545 3/20 0.38
GLA P06280 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL25462879 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL28281755 0.75 ALDH1A1 (0.44) CYP1A2CASP1CASP7ALDH1A1HSD17B10
SCHEMBL1445582 0.73 HSD17B10 (0.40) CYP1A2CASP1CASP7ALDH1A1HSD17B10
SCHEMBL25272619 0.73 TYRO3 (0.50) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL4573075 0.72 CYP1A2 (0.47) CYP1A2CASP1CASP7ALDH1A1HSD17B10
SCHEMBL30141680 0.70 MAT2A (0.37) CYP1A2CASP1CASP7ALDH1A1HSD17B10
SCHEMBL29433978 0.68 ADORA3 (0.36) ALDH1A1HSD17B10HPGDTSHRKMT2A
Butane SCHEMBL10551688 0.68 CYP1A2 (0.36) CYP1A2CASP1CASP7ALDH1A1HSD17B10
SCHEMBL21514304 0.67 ALDH1A1 (0.47) CYP1A2CASP1CASP7ALDH1A1HSD17B10
SCHEMBL28647710 0.66 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDCLK4MAPK1

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-20070238096-A1 Hybrid energy transfer for nucleic acid detection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-10-11 US claimed
WO-2007103558-A2 HYBRID ENERGY TRANSFER FOR NUCLEIC ACID DETECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-13 WO claimed
US-20070238096-A1 Hybrid energy transfer for nucleic acid detection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-10-11 US disclosed
WO-2007103558-A2 HYBRID ENERGY TRANSFER FOR NUCLEIC ACID DETECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-13 WO disclosed