SCHEMBL9013169

SCHEMBL9013169

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ NR1I2 O75469 5/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ ABCC4 O15439 2/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ ALB P02768 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ SLC22A6 Q4U2R8 1/20 0.48
▸ SLC22A8 Q8TCC7 1/20 0.48
▸ SLC22A11 Q9NSA0 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 7/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PGR P06401 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL9013166 1.00 ABCB11 (0.51) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL27324862 1.00 ABCB11 (0.51) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9511476 1.00 ABCB11 (0.51) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9511482 1.00 ABCB11 (0.51) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL10504227 0.93 KCNH2 (0.55) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL10504223 0.93 KCNH2 (0.55) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL10532770 0.93 KCNH2 (0.55) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL10671889 0.93 ABCB11 (0.51) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL10671886 0.93 ABCB11 (0.51) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9012935 0.93 KCNH2 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345671-B1 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-08-21 — — EP disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 — — US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 — — US disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 — — EP disclosed
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