SCHEMBL8629082

SCHEMBL8629082

CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnc(-c4cccnc4)s3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.69
▸ PGR P06401 3/20 0.69
▸ HTR2C P28335 1/20 0.65
▸ PPARG P37231 2/20 0.64
▸ SLC22A6 Q4U2R8 2/20 0.64
▸ SLC22A8 Q8TCC7 2/20 0.64
▸ SLC22A11 Q9NSA0 2/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ DAO P14920 1/20 0.64
▸ SNCA P37840 1/20 0.64
▸ CYP2J2 P51589 1/20 0.64
▸ ABCC4 O15439 2/20 0.63
▸ MAPT P10636 5/20 0.63
▸ ALB P02768 1/20 0.63
▸ TDP1 Q9NUW8 6/20 0.56
▸ APEX1 P27695 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ RECQL P46063 2/20 0.56

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
SCHEMBL9683528 1.00 NR1I2 (0.69) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL8681425 0.93 NR1I2 (0.71) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9683506 0.93 NR1I2 (0.71) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL8627607 0.91 NR1I2 (0.70) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9684926 0.91 NR1I2 (0.70) NR1I2PGRHTR2CPPARGSLC22A6
Trifluoroacetic Acid SCHEMBL9361892 0.90 NR1I2 (0.67) NR1I2PGRHTR2CPPARGSLC22A6
Trifluoroacetic Acid SCHEMBL9361906 0.90 NR1I2 (0.67) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9361091 0.89 NR1I2 (0.68) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9361083 0.89 NR1I2 (0.68) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9683513 0.88 NR1I2 (0.67) NR1I2PGRHTR2CPPARGSLC22A6

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
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 — — US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 — — US disclosed
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