SCHEMBL10873261

SCHEMBL10873261

O=CNc1nc(/C(=N/OC2C=CCC2)C(=O)NC2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CCl)CS[C@H]23)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ NR1I2 O75469 5/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ ALB P02768 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ SLC22A11 Q9NSA0 1/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ PGR P06401 2/20 0.40
▸ TDP1 Q9NUW8 7/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ APEX1 P27695 3/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL9324491 1.00 ABCB11 (0.42) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9324496 1.00 ABCB11 (0.42) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL10873262 1.00 ABCB11 (0.42) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9705424 0.92 ABCB11 (0.45) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9705428 0.92 ABCB11 (0.45) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9481597 0.89 PTGS1 (0.53) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9517351 0.89 PTGS1 (0.53) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9517347 0.89 PTGS1 (0.53) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9481592 0.89 PTGS1 (0.53) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9624163 0.88 TDP1 (0.47) ABCB11PTGS1PDE4DNR1I2HTR2C

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
JP-61267585-A — — None — — JP disclosed
JP-S61267585-A CEPHALOSPORANIC ACID DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FUJISAWA PHARMACEUT CO LTD 1986-11-27 — — JP disclosed
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