SCHEMBL27617633

SCHEMBL27617633

CC1c2cc(F)ccc2-c2cc(Br)ccc2N1C=CCS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GRK2 P25098 2/20 0.31
CTDSP1 Q9GZU7 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
EIF4H Q15056 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27617898 0.89 ESR1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28757619 0.89 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28754625 0.87 CYP1A2 (0.33) CA12CA1CA2CA9
SCHEMBL27636779 0.85 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
Bicarbonate SCHEMBL27698792 0.81 NSD2 (0.36) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL27617735 0.80 GAA (0.33) ALDH1A1SMN1; SMN2
SCHEMBL27617674 0.80 CYP1A2 (0.32) CA12CA1CA2CA9
SCHEMBL27636685 0.80 AURKA (0.31)
SCHEMBL27617731 0.79 RORC (0.32)
SCHEMBL28757617 0.79 CTSK (0.36) HSD11B1L3MBTL1ALDH1A1RECQL

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
CN-1720231-A Substituted dihydrophenanthridinesulfonamides WYETH CORP (US) 2006-01-11 CN claimed
CN-1720231-A Substituted dihydrophenanthridinesulfonamides WYETH CORP (US) 2006-01-11 CN disclosed