SCHEMBL7449173

SCHEMBL7449173

O=C(NNc1cccc(OCc2ccccc2)c1)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.51
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
TLR7 Q9NYK1 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL7607568 0.92 PTGER1 (0.53) PTGER1TLR7TDP1MEN1KMT2A
SCHEMBL7449280 0.90 PTGER1 (0.53) PTGER1TLR7TDP1MEN1KMT2A
SCHEMBL7450591 0.88 PTGER1 (0.51) PTGER1TLR7TDP1ALDH1A1LMNA
SCHEMBL7452183 0.88 SMPD1 (0.54) PTGER1TLR7MEN1KMT2ANR1H4
SCHEMBL7452683 0.85 PTGER1 (0.48) PTGER1TLR7TDP1LMNAL3MBTL1
SCHEMBL7502192 0.84 PTGER1 (0.49) PTGER1TLR7TDP1KDM4EALDH1A1
SCHEMBL7443767 0.82 PTGER1 (0.51) PTGER1TLR7MEN1KMT2AKDM4E
SCHEMBL7447138 0.82 PTGER1 (0.54) PTGER1TLR7TDP1HDAC6HDAC1
SCHEMBL6983082 0.82 PTGER1 (0.56) PTGER1TLR7TDP1KDM4EALDH1A1
SCHEMBL7498276 0.82 TLR7 (0.54) PTGER1TLR7SGMS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed