SCHEMBL6677862

SCHEMBL6677862

N=C(N)N(C(=O)OCc1ccccc1)c1cccc(C(CC(=O)O)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.43
KLK8 O60259 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK4 Q9Y5K2 1/20 0.42
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7059599 0.82 ABCB1 (0.42) CASP1
SCHEMBL7059602 0.79 ABCB1 (0.39)
SCHEMBL3857870 0.79 CASP1 (0.51) CASP1KMT2ASMN1; SMN2
SCHEMBL6955527 0.78 CASP1 (0.60) CASP1
SCHEMBL6156731 0.78 CASP1 (0.60) CASP1
SCHEMBL6156740 0.78 CASP1 (0.60) CASP1
SCHEMBL7061672 0.75 PPARG (0.51)
SCHEMBL10885697 0.73 CTRB1 (0.51) CASP1
SCHEMBL3863271 0.73 HTT (0.54) CASP1SMN1; SMN2
SCHEMBL3863275 0.73 HTT (0.54) CASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117652-B1 TAN-1057 DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-05-26 EP disclosed
US-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 US disclosed
EP-1117652-A1 TAN-1057 DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000012484-A1 TAN-1057 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-09 WO disclosed