SCHEMBL10974358

SCHEMBL10974358

CSCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)OC(C)(C)C)c3csc(NC=O)n3)[C@@H]2SC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ TDP1 Q9NUW8 7/20 0.51
▸ APEX1 P27695 3/20 0.51
▸ APAF1 O14727 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PLCG1 P19174 1/20 0.51
▸ ABCC2 Q92887 1/20 0.51
▸ SIRT5 Q9NXA8 1/20 0.51
▸ PGR P06401 3/20 0.50
▸ PPARG P37231 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ SLC22A6 Q4U2R8 2/20 0.50
▸ SLC22A8 Q8TCC7 2/20 0.50
▸ SLC22A11 Q9NSA0 2/20 0.50
▸ PSMD14 O00487 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ ALB P02768 1/20 0.50

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
SCHEMBL9481511 0.93 NR1I2 (0.53) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL9481517 0.93 NR1I2 (0.53) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL11134960 0.93 NR1I2 (0.53) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL11134959 0.93 NR1I2 (0.53) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL9743447 0.92 NR1I2 (0.53) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL9743442 0.92 NR1I2 (0.53) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL10345438 0.91 TDP1 (0.52) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL10345437 0.91 TDP1 (0.52) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL11009194 0.91 NR1I2 (0.51) NR1I2HTR2CTDP1APEX1APAF1
SCHEMBL11009201 0.91 NR1I2 (0.51) NR1I2HTR2CTDP1APEX1APAF1

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-0029557-B1 7-ACYLAMINO-3-SUBSTITUTED CEPHALOSPORANIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-13 — — EP disclosed
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