SCHEMBL6669175

SCHEMBL6669175

Cc1cc(NS(=O)(=O)c2ccc(-c3nccs3)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
ADRA1A P35348 1/20 0.59
CYP2C9 P11712 1/20 0.55
PPIA P62937 3/20 0.52
HTT P42858 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
GFER P55789 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
PLA2G1B P04054 1/20 0.50
BLM P54132 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL6667895 0.81 MAPK1 (0.64) TSHRMAPK1ALDH1A1MAPTADRA1A
SCHEMBL6685181 0.80 TSHR (0.70) TSHRMAPK1ALDH1A1MAPTADRA1A
SCHEMBL6667922 0.79 TSHR (0.68) TSHRMAPK1ALDH1A1MAPTADRA1A
SCHEMBL23440286 0.78 TSHR (1.00) TSHRMAPK1ALDH1A1MAPTADRA1A
SCHEMBL12879697 0.77 ALDH1A1 (0.77) TSHRMAPK1ALDH1A1MAPTADRA1A
SCHEMBL6665288 0.77 TSHR (0.77) TSHRMAPK1ALDH1A1MAPTADRA1A
SCHEMBL8119097 0.76 ALDH1A1 (0.68) TSHRALDH1A1ADRA1ACYP2C9PPIA
SCHEMBL6667750 0.75 ALDH1A1 (0.69) TSHRMAPK1ALDH1A1MAPTADRA1A
Sulfamethoxazole SCHEMBL3656 0.74 ALDH1A1 (1.00) TSHRMAPK1ALDH1A1MAPTADRA1A
SCHEMBL6667090 0.74 ALDH1A1 (0.73) TSHRMAPK1ALDH1A1MAPTADRA1A

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-2004021997-A2 INHIBITORS OF FUNGAL INVASION MICROBIA, INC. (US) 2004-03-18 WO disclosed