SCHEMBL5997371

SCHEMBL5997371

CN(C(=N)Nc1cccc(I)c1)C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.46
HSD11B1 P28845 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
EPHX2 P34913 4/20 0.41
P2RX2 Q9UBL9 1/20 0.41
CYP3A4 P08684 2/20 0.40
P2RX7 Q99572 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
SCHEMBL4628458 0.72 USP2 (0.48) LMNASMN1; SMN2EPHX2P2RX2P2RX7
SCHEMBL5997374 0.72 HSD11B1 (0.44) SIGMAR1LMNAHSD11B1SMN1; SMN2KMT2A
SCHEMBL7619851 0.72 SIGMAR1 (0.45) SIGMAR1KMT2AMEN1
SCHEMBL12343955 0.69 EPHX2 (0.58) SIGMAR1KMT2AMEN1EPHX2
SCHEMBL14503277 0.65 EPHX2 (0.67) LMNASMN1; SMN2KMT2AMEN1EPHX2
Iodobenzene SCHEMBL28516977 0.65 P2RX7 (0.50) LMNAHSD11B1SMN1; SMN2KMT2AMEN1
SCHEMBL4884967 0.64 SIGMAR1 (0.36) SIGMAR1
SCHEMBL11239549 0.64 GRIK1 (0.50) SIGMAR1LMNAKMT2AMEN1
SCHEMBL30487751 0.64 ALDH1A1 (0.63) SMN1; SMN2KMT2AMEN1
SCHEMBL3709896 0.64 ALDH1A1 (0.63) SMN1; SMN2KMT2AMEN1

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
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed