SCHEMBL41235

SCHEMBL41235

O=C1CCC(=O)N1Cc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B2 P19099 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL6819071 0.92 MEN1 (0.46) CA9CA12CA1CA2POLB
SCHEMBL30953279 0.79 GSK3A (0.71) CA9CA12CA1CA2POLB
SCHEMBL290791 0.78 POLB (0.70) CA9CA12CA1CA2POLB
SCHEMBL40506 0.77 LMNA (0.61) MEN1KMT2ACYP11B1CYP19A1CYP11B2
SCHEMBL5455762 0.77 CYP1B1 (0.44) CA9CA12CA1CA2MEN1
SCHEMBL28548456 0.77 CA12 (0.59) CA9CA12CA1CA2POLB
SCHEMBL14678510 0.77 MGLL (0.71) CA9CA12CA1CA2CYP11B1
SCHEMBL7217564 0.75 CA1 (0.62) CA9CA12CA1CA2POLB
SCHEMBL40711 0.75 KMT2A (0.59) CA9CA12CA1CA2POLB
SCHEMBL19002513 0.75 ALDH1A1 (0.66) CA9CA12CA1CA2POLB

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
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed