SCHEMBL27657809

SCHEMBL27657809

Nc1ncc2[nH]c(O)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
RXFP1 Q9HBX9 1/20 0.44
ADORA1 P30542 3/20 0.34
ADORA2A P29274 2/20 0.34
CLK1 P49759 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
FGFR1 P11362 3/20 0.33
NUDT1 P36639 1/20 0.32
SRC P12931 1/20 0.32
DHFR P00374 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29429673 0.79 GUSB (0.31)
SCHEMBL237122 0.79 ALDH1A1 (0.53) ALDH1A1RXFP1NUDT1KMT2A
SCHEMBL31561546 0.79 ALDH1A1 (0.53) ALDH1A1RXFP1NUDT1KMT2A
SCHEMBL2125263 0.79 GUSB (0.31)
SCHEMBL2822837 0.76
SCHEMBL2934833 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1ADORA1ADORA2ACLK1
SCHEMBL3963577 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1FGFR1SRCDHFR
SCHEMBL5034214 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1CLK1CDK5CDK5R1
SCHEMBL8447336 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1FGFR1NUDT1GFER
SCHEMBL28016408 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1CLK1CDK5CDK5R1

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
CN-1860227-B method for sequence saturation mutagenesis (SeSaM) BASF AG 2012-05-16 CN claimed
CN-1860227-A A process for sequence saturation mutagenesis (SeSaM) BASF AG (DE) 2006-11-08 CN claimed
CN-1860227-B method for sequence saturation mutagenesis (SeSaM) BASF AG 2012-05-16 CN disclosed
CN-1860227-A A process for sequence saturation mutagenesis (SeSaM) BASF AG (DE) 2006-11-08 CN disclosed