SCHEMBL4787708

SCHEMBL4787708

CCc1ccc(Sc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)c3nonc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
GSTP1 P09211 3/20 0.36
GSTM2 P28161 3/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
ACLY P53396 1/20 0.35

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
SCHEMBL4786432 0.91 TSHR (0.42) LMNATSHRALDH1A1GSTP1GSTM2
SCHEMBL4788634 0.88 SMN1; SMN2 (0.48) SMN1; SMN2HTTLMNARECQLTSHR
SCHEMBL4787944 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HTTLMNARECQLTSHR
SCHEMBL4787431 0.79 IDO1 (0.47) SMN1; SMN2HTTLMNATSHRALDH1A1
SCHEMBL4746166 0.79 TSHR (0.43) SMN1; SMN2HTTLMNARECQLTSHR
SCHEMBL4743021 0.79 ALDH1A1 (0.42) SMN1; SMN2HTTLMNARECQLTSHR
SCHEMBL4787718 0.78 TSHR (0.41) SMN1; SMN2HTTLMNARECQLTSHR
SCHEMBL4743057 0.77 ALDH1A1 (0.47) SMN1; SMN2HTTLMNARECQLTSHR
SCHEMBL4786482 0.76 TSHR (0.42) LMNARECQLTSHRALDH1A1POLB
SCHEMBL4785121 0.76 TSHR (0.54) SMN1; SMN2HTTLMNARECQLTSHR

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-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed