SCHEMBL7760250

SCHEMBL7760250

Nc1nc(/C(=N\O)C(=O)NC2C(=O)N3C(C(=O)O)=C(/C=C/c4cnc(C(F)(F)F)s4)CS[C@H]23)ns1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ APAF1 O14727 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ PLCG1 P19174 1/20 0.44
▸ ABCC2 Q92887 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PSMD14 O00487 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ HPGD P15428 2/20 0.40
▸ NR1I2 O75469 4/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL7760272 1.00 TDP1 (0.52) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7760251 0.90 TDP1 (0.42) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7767594 0.87 TDP1 (0.69) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7763207 0.85 TDP1 (0.53) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7763202 0.85 TDP1 (0.53) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7761157 0.85 TDP1 (0.57) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7761167 0.85 TDP1 (0.57) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL12567053 0.83 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL2588286 0.83 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL2594857 0.83 TDP1 (0.61) 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-0723965-B1 NOVEL CEPHALOSPORIN DERIVATIVES MEIJI SEIKA KAISHA (JP) 2001-05-30 — — EP claimed
Send feedback