SCHEMBL8776276

SCHEMBL8776276

Nc1nc(/C(=N/O)C(=O)NC2C(=O)N3C(OC(=O)O)=C(Sc4nc5ccccc5s4)CS[C@@H]23)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.53
▸ MAPT P10636 4/20 0.53
▸ ABCC4 O15439 2/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ NR1I2 O75469 5/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ PGR P06401 3/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ APEX1 P27695 3/20 0.45
▸ APAF1 O14727 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PLCG1 P19174 1/20 0.45
▸ ABCC2 Q92887 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45
▸ PPARG P37231 2/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ MMP2 P08253 1/20 0.44

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
SCHEMBL8776278 0.93 NR1I2 (0.56) TDP1MAPTABCC4NR1I2HTR2C
SCHEMBL8776262 0.91 TDP1 (0.57) TDP1MAPTABCC4NR1I2HTR2C
SCHEMBL8776295 0.89 TDP1 (0.63) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL8776273 0.89 TDP1 (0.63) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL8776274 0.83 NR1I2 (0.65) TDP1MAPTABCC4NR1I2HTR2C
SCHEMBL8776284 0.83 NR1I2 (0.65) TDP1MAPTABCC4NR1I2HTR2C
SCHEMBL8776259 0.82 TDP1 (0.66) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL8776280 0.82 TDP1 (0.66) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9364771 0.81 TDP1 (0.56) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9368256 0.81 TDP1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527686-B1 Cephalosporin derivatives MEIJI SEIKA KAISHA (JP) 1997-10-08 — — EP claimed
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