SCHEMBL10752870

SCHEMBL10752870

Nc1nc(CC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(Cl)CS[C@H]23)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAPT P10636 6/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ NR1I2 O75469 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CTDSP1 Q9GZU7 2/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ SLC15A2 Q16348 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ ABCC4 O15439 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ HTR2C P28335 1/20 0.49

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
SCHEMBL10752876 1.00 TDP1 (0.57) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10756810 0.90 TDP1 (0.52) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10756805 0.90 TDP1 (0.52) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10794279 0.89 TDP1 (0.52) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10756852 0.88 MAPK1 (0.53) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10756846 0.88 MAPK1 (0.53) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10790068 0.87 MAPK1 (0.52) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10892443 0.86 TDP1 (0.54) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10892425 0.86 TDP1 (0.54) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL10793932 0.86 MAPK1 (0.56) TDP1HSD17B10LMNAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211526-A2 Cephalosporins, their preparation and formulations ELI LILLY AND COMPANY (US) 1987-02-25 — — EP claimed
US-4683227-A CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1987-07-28 — — US disclosed
US-4683227-A CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1987-07-28 — — US disclosed
EP-0211526-A2 Cephalosporins, their preparation and formulations ELI LILLY AND COMPANY (US) 1987-02-25 — — EP disclosed
EP-0211526-A2 Cephalosporins, their preparation and formulations ELI LILLY AND COMPANY (US) 1987-02-25 — — EP disclosed
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