SCHEMBL8649779

SCHEMBL8649779

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.71
▸ PGR P06401 2/20 0.71
▸ HTR2C P28335 1/20 0.69
▸ MAPT P10636 5/20 0.68
▸ PPARG P37231 2/20 0.68
▸ SLC22A6 Q4U2R8 2/20 0.68
▸ SLC22A8 Q8TCC7 2/20 0.68
▸ SLC22A11 Q9NSA0 2/20 0.68
▸ ALB P02768 1/20 0.68
▸ DAO P14920 1/20 0.67
▸ SNCA P37840 1/20 0.67
▸ CYP2J2 P51589 1/20 0.67
▸ ABCC4 O15439 2/20 0.67
▸ KMT2A Q03164 1/20 0.64
▸ TDP1 Q9NUW8 6/20 0.59
▸ APEX1 P27695 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ RECQL P46063 2/20 0.59

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
SCHEMBL9684905 0.93 NR1I2 (0.60) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL11462677 0.92 NR1I2 (0.74) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL11462676 0.92 NR1I2 (0.74) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL9684927 0.92 NR1I2 (0.74) NR1I2PGRHTR2CMAPTPPARG
Hydrochloric Acid SCHEMBL11461005 0.92 NR1I2 (0.73) NR1I2PGRHTR2CMAPTPPARG
Hydrochloric Acid SCHEMBL11461006 0.92 NR1I2 (0.73) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL9683604 0.91 NR1I2 (0.78) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL8651088 0.91 NR1I2 (0.78) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL11491121 0.91 NR1I2 (0.78) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL9684902 0.89 NR1I2 (0.76) NR1I2PGRHTR2CMAPTPPARG

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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