SCHEMBL6823530

SCHEMBL6823530

C[C@@]1(Oc2cc(NS(=O)(=O)c3ccc(Sc4cccc(Cl)c4Cl)c(C(F)(F)F)c3)ccc2C(F)(F)F)CCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CCR2 P41597 5/20 0.36
▸ PLA2G7 Q13093 3/20 0.35
▸ PTPN2 P17706 2/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PTPN5 P54829 2/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSPD1 P10809 1/20 0.34
▸ HSPE1 P61604 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
SCHEMBL6820791 0.92 FFAR4 (0.36) BRAFMAPTTP53PLA2G7FFAR4
SCHEMBL6820451 0.87 FFAR4 (0.38) BRAFMAPTTSHRTP53CCR2
SCHEMBL6820305 0.86 FFAR4 (0.38) MAPTTP53PLA2G7FFAR4FFAR1
SCHEMBL6820782 0.86 SMN1; SMN2 (0.33) MAPTTP53LMNAHTT
SCHEMBL6824643 0.86 UTS2R (0.35) MEN1KMT2AALDH1A1LMNAALPL
SCHEMBL6820345 0.85 MEN1 (0.38) BRAFMAPTTP53CCR2PLA2G7
SCHEMBL6677066 0.84 HTR6 (0.46) BRAFMAPTTP53FFAR4FFAR1
SCHEMBL6821099 0.84 UTS2R (0.33) —
SCHEMBL6823531 0.84 UTS2R (0.34) —
SCHEMBL6817411 0.83 BRAF (0.40) BRAFMAPTTSHRTP53CCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO claimed
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO disclosed
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