SCHEMBL7545007

SCHEMBL7545007

O=C(O)[C@@H](c1ccccc1)N(Cc1cccnc1)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.40
ADAMTS4 O75173 1/20 0.40
NAMPT P43490 2/20 0.38
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP9 P14780 2/20 0.36
TP53 P04637 1/20 0.36
MMP2 P08253 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL7545020 1.00 GRM2 (0.40) GRM2ADAMTS4NAMPTLMNAHPGD
SCHEMBL7545000 1.00 GRM2 (0.40) GRM2ADAMTS4NAMPTLMNAHPGD
SCHEMBL7115876 0.91 MMP2 (0.40) GRM2ADAMTS4NAMPTLMNAHPGD
SCHEMBL7115873 0.91 MMP2 (0.40) GRM2ADAMTS4NAMPTLMNAHPGD
SCHEMBL7115880 0.91 MMP2 (0.40) GRM2ADAMTS4NAMPTLMNAHPGD
SCHEMBL7123444 0.84 GRM2 (0.33) GRM2ADAMTS4NAMPTLMNASMN1; SMN2
SCHEMBL7122604 0.82 SMN1; SMN2 (0.34) GRM2ADAMTS4NAMPTLMNASMN1; SMN2
SCHEMBL7123675 0.79 MMP2 (0.44) ADAMTS4NAMPTMMP9MMP2
SCHEMBL7123678 0.79 MMP2 (0.44) ADAMTS4NAMPTMMP9MMP2
SCHEMBL7545570 0.76 SIGMAR1 (0.35) MMP2

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-1265855-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
WO-2001062715-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 WO disclosed