SCHEMBL10756846

SCHEMBL10756846

Cc1nc(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
▸ MAPK1 P28482 2/20 0.53
▸ TDP1 Q9NUW8 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ CTDSP1 Q9GZU7 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NR1I2 O75469 2/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ SLC15A2 Q16348 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ CACNA1B Q00975 3/20 0.49
▸ APBA1 Q02410 3/20 0.49
▸ POLB P06746 3/20 0.48

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
SCHEMBL10756852 1.00 MAPK1 (0.53) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10790068 0.99 MAPK1 (0.52) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10755756 0.92 ALDH1A1 (0.48) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10790048 0.90 TDP1 (0.49) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10790053 0.90 TDP1 (0.49) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10756805 0.90 TDP1 (0.52) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10756810 0.90 TDP1 (0.52) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10794279 0.89 TDP1 (0.52) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10752870 0.88 TDP1 (0.57) MAPK1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10752876 0.88 TDP1 (0.57) MAPK1TDP1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4683227-A CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1987-07-28 — — US claimed
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
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