SCHEMBL4746166

SCHEMBL4746166

CCOc1ccc(Sc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)c3nonc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.40
POLB P06746 4/20 0.40
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
CACNA2D1 P54289 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4788634 0.91 SMN1; SMN2 (0.48) TSHRMAPTPOLBALDH1A1LMNA
SCHEMBL4786482 0.90 TSHR (0.42) TSHRGFERPOLBALDH1A1LMNA
SCHEMBL4743050 0.89 TSHR (0.44) TSHRGFERMAPTPOLBALDH1A1
SCHEMBL4786432 0.88 TSHR (0.42) TSHRGFERPOLBALDH1A1LMNA
SCHEMBL4787431 0.86 IDO1 (0.47) TSHRGFERMAPTPOLBALDH1A1
SCHEMBL4788023 0.80 TSHR (0.43) TSHRGFERMAPTPOLBLMNA
SCHEMBL4787944 0.80 SMN1; SMN2 (0.48) TSHRMAPTPOLBALDH1A1LMNA
SCHEMBL4746863 0.80 MAPT (0.45) TSHRMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL4786708 0.79 MAPT (0.46) MAPTPOLBALDH1A1LMNAHTT
SCHEMBL4787284 0.78 TSHR (0.52) TSHRGFERPOLBALDH1A1LMNA

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