SCHEMBL9766176

SCHEMBL9766176

O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.58
▸ CTDSP1 Q9GZU7 2/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ MAPT P10636 5/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ PLCG1 P19174 1/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MEN1 O00255 2/20 0.46

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
SCHEMBL9100866 1.00 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9766170 1.00 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL27275320 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL11015972 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9099692 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL1132359 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9642504 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL10579475 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL7804219 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9699338 0.91 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064649-A CEPHALOSPORIN DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1991-11-12 — — US disclosed
EP-0359536-A2 Cephalosporin compounds, process for their preparation and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1990-03-21 — — EP disclosed
US-4668781-A Ceph-3-one compounds and process for their manufacture CIBA-GEIGY CORPORATION (US) 1987-05-26 — — US disclosed
US-4591642-A Cephem and cepham derivatives CIBA-GEIGY CORPORATION (US) 1986-05-27 — — US disclosed
US-4477658-A Process for the preparation of cepham and cephem compounds CIBA-GEIGY CORPORATION (US) 1984-10-16 — — US disclosed
US-4405778-A Process for preparing cephalosporin ethers CIBA-GEIGY CORPORATION (US) 1983-09-20 — — US disclosed
US-4389524-A Cepham compounds CIBA-GEIGY CORPORATION (US) 1983-06-21 — — US disclosed
US-4073902-A ANTIMICROBIAL COMPOUNDS CIBA-GEIGY CORPORATION (US) 1978-02-14 — — US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 — — US disclosed
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