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SCHEMBL21494537

SCHEMBL21494537

COC(=O)/C=C/CCC(NC(=O)c1ccncc1C(=O)O)C(=O)NC(CCSC)C(=O)N1CC(=O)C[C@H]1C(=O)NC(C(=O)NC(C(N)=O)C1CCCCC1)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 20/20 1.00
▸ TGM2 P21980 20/20 1.00
▸ TGM6 O95932 1/20 0.82
▸ F13B P05160 1/20 0.82
▸ TGM1 P22735 1/20 0.82
▸ TGM3 Q08188 1/20 0.82

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
SCHEMBL21494536 1.00 F13A1 (1.00) F13A1TGM2TGM6F13BTGM1
SCHEMBL21510942 0.98 F13A1 (0.96) F13A1TGM2TGM6F13BTGM1
SCHEMBL23371687 0.92 F13A1 (0.85) F13A1TGM2TGM6F13BTGM1
SCHEMBL21510939 0.90 F13A1 (1.00) F13A1TGM2TGM6F13BTGM1
SCHEMBL21510937 0.88 F13A1 (0.96) F13A1TGM2TGM6F13BTGM1
SCHEMBL21510595 0.85 F13A1 (1.00) F13A1TGM2TGM6F13BTGM1
SCHEMBL21510629 0.85 F13A1 (1.00) F13A1TGM2TGM6F13BTGM1
SCHEMBL21510597 0.85 F13A1 (1.00) F13A1TGM2TGM6F13BTGM1
SCHEMBL21514830 0.85 F13A1 (1.00) F13A1TGM2TGM6F13BTGM1
SCHEMBL21514973 0.85 F13A1 (1.00) F13A1TGM2TGM6F13BTGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781212-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII Zedira GmbH (DE) 2021-02-24 — — EP disclosed
WO-2019202052-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 — — WO disclosed
WO-2019201432-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 — — WO disclosed