SCHEMBL7532673

SCHEMBL7532673

O=C(NC1CCc2ccccc21)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.42
P2RX7 Q99572 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ACLY P53396 1/20 0.41

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
SCHEMBL2075961 0.77 TAS1R3 (0.55) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL7530861 0.76 KDM4E (0.61) ALDH1A1CYP1A2TSHRKMT2ALMNA
SCHEMBL3154101 0.76 SCN3A (0.56) HTTALDH1A1POLBUSP2TSHR
SCHEMBL532975 0.73 ACLY (0.69) HTTALDH1A1TSHRKMT2ANPSR1
SCHEMBL7538871 0.72 METAP2 (0.53) HTTALDH1A1POLBTSHRKMT2A
Hydrochloric Acid SCHEMBL533067 0.72 ACLY (0.68) HTTALDH1A1TSHRKMT2ANPSR1
SCHEMBL3657767 0.71 ACLY (0.55) POLBTSHRKMT2ANPSR1LMNA
SCHEMBL533066 0.71 ACLY (0.58) HTTALDH1A1CYP1A2TSHRKMT2A
SCHEMBL3981841 0.71 EDNRA (0.41) HTTALDH1A1POLBTSHRKMT2A
SCHEMBL2465110 0.71 HTT (0.83) HTTALDH1A1TAS1R3TAS1R1TAS1R2

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-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed