SCHEMBL20002629

SCHEMBL20002629

O=C(C1CC[S+]([O-])C1)N1CCC([S+]([O-])c2ccc(F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 7/20 0.34
CYP46A1 Q9Y6A2 2/20 0.33
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL20002863 0.93 L3MBTL1 (0.39) L3MBTL1HSD11B1CYP46A1LMNAKMT2A
SCHEMBL20002698 0.82 HSD11B1 (0.47) L3MBTL1HSD11B1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20002706 0.82 HSD11B1 (0.47) L3MBTL1HSD11B1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20002685 0.81 HSD11B1 (0.41) L3MBTL1HSD11B1CYP46A1CA12CA1
SCHEMBL20002751 0.81 NOTUM (0.42) L3MBTL1NOTUM
SCHEMBL20002286 0.81 TACR1 (0.45)
SCHEMBL20002564 0.81 NAMPT (0.41) L3MBTL1HSD11B1CYP46A1LMNAKMT2A
SCHEMBL20002400 0.81 TACR3 (0.42) L3MBTL1HSD11B1KMT2ACA12CA1
SCHEMBL22662762 0.80 SLC6A9 (0.43)
SCHEMBL20002854 0.79 RORC (0.42) L3MBTL1HSD11B1CYP46A1LMNAKMT2A

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
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed