SCHEMBL9361234

SCHEMBL9361234

O=C(CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ TDP1 Q9NUW8 7/20 0.44
▸ APEX1 P27695 3/20 0.44
▸ APAF1 O14727 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PLCG1 P19174 1/20 0.44
▸ ABCC2 Q92887 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ NR1I2 O75469 6/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PPARG P37231 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42

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
SCHEMBL9361240 1.00 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10985834 0.95 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10985827 0.95 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10636340 0.94 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9196828 0.94 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10367628 0.94 PTGS1 (0.46) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9360441 0.94 PTGS1 (0.46) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9360449 0.94 PTGS1 (0.46) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10367629 0.94 PTGS1 (0.46) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9734762 0.93 PTGS1 (0.45) PTGS1ABCB11PDE4DTDP1APEX1

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
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 — — US disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 — — EP disclosed
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