SCHEMBL5997374

SCHEMBL5997374

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.44
SIGMAR1 Q99720 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
USP2 O75604 1/20 0.36
SCN2A Q99250 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL5997371 0.72 SIGMAR1 (0.48) HSD11B1SIGMAR1MEN1KMT2ALMNA
SCHEMBL7619856 0.72 SIGMAR1 (0.53) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27564929 0.64 GRIN2D (0.61) SIGMAR1RAB9AGRIN2DGRIN3BGRIN1
Sulfuric Acid SCHEMBL28378280 0.63 LMNA (0.55) SIGMAR1MEN1KMT2ALMNARAB9A
SCHEMBL4628458 0.63 USP2 (0.48) LMNASMN1; SMN2USP2
Iodobenzene SCHEMBL28516977 0.62 P2RX7 (0.50) HSD11B1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3455674 0.61 HSD11B1 (0.49) HSD11B1MEN1KMT2ALMNACYP3A4
SCHEMBL2849063 0.60 MEN1 (0.50) HSD11B1MEN1KMT2ALMNACYP3A4
SCHEMBL3455152 0.58 HSD11B1 (0.71) HSD11B1MEN1KMT2ARAB9ACYP3A4
SCHEMBL14859407 0.58 HSD11B1 (0.43) HSD11B1MEN1KMT2ALMNARAB9A

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