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SCHEMBL4486893

SCHEMBL4486893

O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 14/20 1.00
▸ LMNA P02545 4/20 0.55
▸ GAA P10253 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL3213328 0.89 HSD11B1 (0.80) HSD11B1LMNAGAASMN1; SMN2TP53
SCHEMBL3214231 0.85 HSD11B1 (1.00) HSD11B1LMNASMN1; SMN2HTTMAPT
SCHEMBL3207580 0.84 HSD11B1 (0.72) HSD11B1LMNAGAASMN1; SMN2TP53
SCHEMBL3209913 0.84 HSD11B1 (0.72) HSD11B1LMNAGAASMN1; SMN2HTT
SCHEMBL13489671 0.81 HSD11B1 (0.69) HSD11B1MEN1KMT2A
SCHEMBL3210235 0.81 HSD11B1 (0.68) HSD11B1MEN1KMT2A
SCHEMBL3222991 0.80 HSD11B1 (0.72) HSD11B1HTT
SCHEMBL3223548 0.79 HSD11B1 (0.72) HSD11B1HTT
SCHEMBL3201922 0.78 HSD11B1 (0.69) HSD11B1LMNASMN1; SMN2TP53HTT
SCHEMBL3214960 0.77 HSD11B1 (0.73) HSD11B1HTT

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-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 — — US disclosed