SCHEMBL10530068

SCHEMBL10530068

CCO/N=C(/C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(/C=C/c3cccnc3)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ TDP1 Q9NUW8 3/20 0.41
▸ APAF1 O14727 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ ABCC2 Q92887 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PSMD14 O00487 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ FAP Q12884 1/20 0.38
▸ PTGS1 P23219 2/20 0.36
▸ ABCC4 O15439 2/20 0.36

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
SCHEMBL10530073 1.00 KCNH2 (0.49) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10796073 0.95 KCNH2 (0.44) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10796068 0.95 KCNH2 (0.44) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10369028 0.91 KCNH2 (0.49) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10369029 0.91 KCNH2 (0.49) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10531041 0.91 KCNH2 (0.52) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10796556 0.91 KCNH2 (0.52) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10531342 0.91 KCNH2 (0.52) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10801152 0.90 KCNH2 (0.51) KCNH2TDP1APAF1LMNATSHR
SCHEMBL10801146 0.90 KCNH2 (0.51) KCNH2TDP1APAF1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103264-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 — — EP disclosed
US-4639448-A 7-amino-3-[substituted vinyl]-3-cephem-4-carboxylates having antimicrobial activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-01-27 — — US disclosed
US-4546101-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-08 — — US disclosed
EP-0103264-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-21 — — EP disclosed
Send feedback