SCHEMBL6672003

SCHEMBL6672003

Cc1cc(NS(=O)(=O)c2ccc(OCc3cccs3)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 5/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 3/20 0.54
ADRA1A P35348 1/20 0.54
CYP2C9 P11712 1/20 0.54
GAA P10253 2/20 0.53
MEN1 O00255 4/20 0.52
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL6666893 0.79 NPC1 (0.74) POLBTSHRMAPK1KMT2AMAPT
SCHEMBL6680802 0.78 MAPT (0.60) POLBTSHRMAPK1KMT2AMAPT
SCHEMBL6667922 0.78 TSHR (0.68) POLBL3MBTL1TSHRMAPK1KMT2A
SCHEMBL6666219 0.78 MAPT (0.60) POLBTSHRMAPK1KMT2AMAPT
SCHEMBL6685106 0.76 TSHR (0.73) TSHRMAPK1KMT2AMAPTALDH1A1
SCHEMBL6670051 0.75 KMT2A (0.59) POLBTSHRMAPK1KMT2AMAPT
SCHEMBL6669899 0.75 MAPT (0.56) POLBTSHRMAPK1KMT2AMAPT
SCHEMBL15831621 0.75 ALDH1A1 (0.62) POLBTSHRMAPK1KMT2AMAPT
SCHEMBL6668899 0.74 HTT (0.60) POLBTSHRMAPK1KMT2AMAPT
SCHEMBL6680042 0.74 MAPT (0.55) POLBTSHRMAPK1KMT2AMAPT

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