SCHEMBL28059530

SCHEMBL28059530

CCCC(CC#N)NC=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TSHR P16473 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
SCHEMBL8627522 0.80 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9766486 0.78 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL270981 0.76
SCHEMBL10073167 0.74
SCHEMBL2408541 0.72
SCHEMBL28824011 0.72 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2437968 0.72
SCHEMBL28714949 0.72
SCHEMBL27667488 0.71 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3527147 0.69 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7

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
CN-103724279-B One step to form the loop prepares the convenient synthetic method of 2-methyl-4-amino-5-amino methylpyrimidine XINFA PHARMACEUTICAL CO., LTD. (CN) 2016-04-06 CN claimed
CN-103724279-B One step to form the loop prepares the convenient synthetic method of 2-methyl-4-amino-5-amino methylpyrimidine XINFA PHARMACEUTICAL CO., LTD. (CN) 2016-04-06 CN disclosed