SCHEMBL27458266

SCHEMBL27458266

N=C(N)NN=CC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\O)c3csc(N)n3)C2SC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.76
▸ MAPT P10636 4/20 0.76
▸ ABCC4 O15439 3/20 0.76
▸ CNR1 P21554 1/20 0.76
▸ CTDSP1 Q9GZU7 1/20 0.76
▸ APEX1 P27695 3/20 0.61
▸ APAF1 O14727 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ PLCG1 P19174 1/20 0.61
▸ ABCC2 Q92887 1/20 0.61
▸ SIRT5 Q9NXA8 1/20 0.61
▸ PSMD14 O00487 1/20 0.60
▸ MMP2 P08253 1/20 0.60
▸ NR1I2 O75469 5/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ PPARG P37231 2/20 0.53
▸ SLC22A6 Q4U2R8 2/20 0.53
▸ SLC22A8 Q8TCC7 2/20 0.53

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
SCHEMBL5096480 1.00 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5099431 1.00 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5105288 1.00 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5105299 0.91 NR1I2 (0.68) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7106729 0.89 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5996640 0.89 TDP1 (0.68) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5096575 0.88 TDP1 (0.77) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5995605 0.87 TDP1 (0.66) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL8935128 0.87 TDP1 (0.57) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7029897 0.87 TDP1 (0.57) 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
CN-1142937-C Antibacterial cephalosporins �Ҵ���˾ 2004-03-24 — — CN disclosed
CN-1186494-A Antibacterial cephalosporins BIOCHEMIE GMBH (AT) 1998-07-01 — — CN disclosed
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