SCHEMBL14587448

SCHEMBL14587448

C#CCNC(=O)NCCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 5/20 0.37
EPHX2 P34913 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
CTH P32929 1/20 0.32
SELP P16109 1/20 0.32
PRMT1 Q99873 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
SCHEMBL11571691 0.85 CA12 (0.39) EPHX1CA12CA1CA2CA9
SCHEMBL194006 0.80 ALDH1A1 (0.52) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL21535964 0.78 EPHX1 (0.63) EPHX1EPHX2
SCHEMBL7742036 0.78 PRMT1 (0.47) MAPTEPHX2PRMT1
SCHEMBL17415811 0.77 MEN1 (0.43) MEN1USP2ALDH1A1KMT2AEPHX1
SCHEMBL2705473 0.76
SCHEMBL22068239 0.75 PAOX (0.52) EPHX1EPHX2MAOBPRMT1
SCHEMBL28626067 0.74 ZDHHC20 (0.46) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL4577304 0.73 EPHX1 (0.60) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL194284 0.73

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
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed