SCHEMBL6112349

SCHEMBL6112349

CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
HSD11B1 P28845 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RORC P51449 1/20 0.36
HTR6 P50406 3/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ATR Q13535 1/20 0.34
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ATAD2 Q6PL18 1/20 0.33

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
SCHEMBL15068032 0.81 MCOLN3 (0.45) JAK2JAK1HSD11B1TSHRHPGD
SCHEMBL6111371 0.76 ALDH1A1 (0.46) JAK2JAK1HSD11B1ALOX5APFEN1
SCHEMBL6111003 0.76 HSD11B1 (0.59) JAK2JAK1HSD11B1ALOX5APFEN1
SCHEMBL6112269 0.76 HSD11B1 (0.59) JAK2JAK1HSD11B1ALOX5APFEN1
SCHEMBL6034241 0.74 PKM (0.58) PKMTSHRMAPK1HTTSMN1; SMN2
SCHEMBL6034845 0.74 PKM (0.57) PKMHTTLMNA
SCHEMBL6035064 0.73 PKM (0.56) PKMTSHRMAPK1HTTSMN1; SMN2
SCHEMBL6034697 0.72 USP5 (0.49) JAK2JAK1HSD11B1TSHRLMNA
SCHEMBL6110503 0.72 TSHR (0.45) JAK2JAK1HSD11B1TSHRHPGD
SCHEMBL6110740 0.72 GAA (0.50) HSD11B1TSHRMAPK1HTTLMNA

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
WO-2006134481-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1 PFIZER INC. (US) 2006-12-21 WO disclosed