SCHEMBL9361013

SCHEMBL9361013

O=C(N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@@H]12)C(=NOCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

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
▸ NR1I2 O75469 5/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.41
▸ SLC22A11 Q9NSA0 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 7/20 0.41
▸ APEX1 P27695 3/20 0.41
▸ APAF1 O14727 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ ABCC2 Q92887 1/20 0.41

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
SCHEMBL9361005 1.00 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9734762 0.96 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9361950 0.96 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9734755 0.96 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9361941 0.96 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9362001 0.91 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9362010 0.91 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9361234 0.91 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9360441 0.91 PTGS1 (0.46) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10367628 0.91 PTGS1 (0.46) PTGS1ABCB11PDE4DNR1I2HTR2C

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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