SCHEMBL17784694

SCHEMBL17784694

CC(C)(C)[Si](C)(C)Oc1cc(Cl)ccc1CBr.CC(C)(C)[Si](C)(C)Oc1cc(Cl)ccc1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
PSEN1 P49768 8/20 0.33
PSEN2 P49810 8/20 0.33
APH1B Q8WW43 8/20 0.33
NCSTN Q92542 8/20 0.33
APH1A Q96BI3 8/20 0.33
PSENEN Q9NZ42 8/20 0.33
DRD2 P14416 1/20 0.32
SLC6A4 P31645 3/20 0.32
HTR2A P28223 2/20 0.32
KCNH2 Q12809 2/20 0.32
IDO1 P14902 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
PTGES2 Q9H7Z7 1/20 0.30

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
SCHEMBL17784730 0.94 MAPT (0.38) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL17784701 0.93 SLC6A4 (0.36) DRD2SLC6A4HTR2AKCNH2IDO1
SCHEMBL9452824 0.81 DRD2 (0.41) DRD2NPC1RAB9ACA12CA1
SCHEMBL2880034 0.81 MEN1 (0.36) DRD2SLC6A4HTR2AKCNH2
SCHEMBL17786208 0.78 PTGDR2 (0.39) MAPTDRD2NPC1RAB9ACA12
SCHEMBL7565321 0.78 DRD2 (0.35) MAPTDRD2SMN1; SMN2CA12CA1
SCHEMBL17786198 0.77 IDO1 (0.34) DRD2SLC6A4HTR2AKCNH2IDO1
SCHEMBL17786202 0.76 DRD2 (0.36) MAPTDRD2SLC6A4HPGDSMN1; SMN2
SCHEMBL17184765 0.76 APLNR (0.36) DRD2SLC6A4HTR2AKCNH2CA12
SCHEMBL2882184 0.75 IDO1 (0.35) DRD2SLC6A4HTR2AKCNH2IDO1

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
EP-3224241-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS Acturum Real Estate AB (SE) 2017-10-04 EP disclosed
WO-2016085391-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS Acturum Life Science AB (SE) 2016-06-02 WO disclosed