SCHEMBL27973296

SCHEMBL27973296

CCCCCCN(CCCN)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MGLL Q99685 1/20 0.40
PAOX Q6QHF9 1/20 0.39

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
SCHEMBL27973460 0.92 CA12 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6546705 0.90 CA12 (0.47) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6940598 0.89 CA12 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4163491 0.89 CA12 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4149053 0.89 CA12 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4155109 0.89 CA12 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8431297 0.89 CA12 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2482724 0.89 CA12 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL1742678 0.89 CA12 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11343070 0.89 CA12 (0.52) DNM1MEN1KMT2AALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965071-A N-perfluorohexyl acetamide compounds as well as preparation method and application thereof JINHUA YONGHE FLUORINE CHEMICAL CO LTD 2014-08-06 CN disclosed