SCHEMBL7513824

SCHEMBL7513824

Cc1cc(NNC(=O)c2csc(-c3ccccc3OCc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR7 Q9NYK1 6/20 0.41
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
BRD4 O60885 1/20 0.39
SCD O00767 1/20 0.38

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
SCHEMBL7503297 0.85 PTGER1 (0.48) PTGER1HPGDSMN1; SMN2TLR7PTGER4
SCHEMBL7498276 0.82 TLR7 (0.54) PTGER1TLR7
SCHEMBL7607568 0.81 PTGER1 (0.53) PTGER1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7509735 0.81 PTGER1 (0.46) PTGER1HPGDTLR7PTGER4PTGER3
SCHEMBL7502192 0.80 PTGER1 (0.49) PTGER1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7506287 0.80 PTGER1 (0.46) PTGER1HPGDTLR7PTGER4PTGER3
SCHEMBL7447138 0.80 PTGER1 (0.54) PTGER1TLR7
SCHEMBL7513283 0.80 SMN1; SMN2 (0.50) PTGER1SMN1; SMN2TLR7PTGER4PTGER3
SCHEMBL7448167 0.80 PTGER1 (0.50) PTGER1SMN1; SMN2TLR7
SCHEMBL7087561 0.80 PTGER1 (0.52) PTGER1KDM4EALDH1A1HPGDTLR7

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 claimed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed