SCHEMBL10755756

SCHEMBL10755756

Cc1nc(CC(=S)N[C@@H]2C(=O)N3C(C(=O)O)=C(Cl)CS[C@@H]23)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ SLC15A2 Q16348 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MAPK1 P28482 2/20 0.46
▸ CACNA1B Q00975 3/20 0.44
▸ APBA1 Q02410 3/20 0.44
▸ POLB P06746 4/20 0.43

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
SCHEMBL10756846 0.92 MAPK1 (0.53) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10756852 0.92 MAPK1 (0.53) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10790068 0.91 MAPK1 (0.52) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10790048 0.82 TDP1 (0.49) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10790053 0.82 TDP1 (0.49) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10756805 0.82 TDP1 (0.52) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10756810 0.82 TDP1 (0.52) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10791941 0.81 PLCG1 (0.57) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10791948 0.81 PLCG1 (0.57) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL10794279 0.81 TDP1 (0.52) ALDH1A1KDM4EMAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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