SCHEMBL7029897

SCHEMBL7029897

CC/C=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(C=NNC(=N)N)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.57
▸ MAPT P10636 3/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.57
▸ APEX1 P27695 3/20 0.56
▸ APAF1 O14727 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PLCG1 P19174 1/20 0.56
▸ ABCC2 Q92887 1/20 0.56
▸ SIRT5 Q9NXA8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PSMD14 O00487 1/20 0.56
▸ MMP2 P08253 1/20 0.56
▸ FAP Q12884 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ SLC15A2 Q16348 1/20 0.52

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
SCHEMBL5099242 0.89 TDP1 (0.59) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5099431 0.87 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5096480 0.87 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL27458266 0.87 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5105288 0.87 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5105299 0.85 NR1I2 (0.68) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5138551 0.82 TDP1 (0.65) TDP1MAPTABCC4CNR1CTDSP1
Cefcapene SCHEMBL419453 0.81 FAP (0.77) TDP1MAPTABCC4CNR1CTDSP1
Cefcapene SCHEMBL419454 0.81 FAP (0.77) TDP1MAPTABCC4CNR1CTDSP1
Cefcapene SCHEMBL419455 0.81 FAP (0.77) TDP1MAPTABCC4CNR1CTDSP1

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-0824535-B1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GMBH (AT) 2003-02-26 — — EP disclosed
EP-1221446-A1 Antibacterial cephalosporins BIOCHEMIE Gesellschaft m.b.H. (AT) 2002-07-10 — — EP disclosed
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