SCHEMBL9684596

SCHEMBL9684596

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc4ccccc4o3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.69
▸ NR1I2 O75469 5/20 0.69
▸ PGR P06401 2/20 0.69
▸ HTR2C P28335 1/20 0.69
▸ PPARG P37231 2/20 0.67
▸ SLC22A6 Q4U2R8 2/20 0.67
▸ SLC22A8 Q8TCC7 2/20 0.67
▸ SLC22A11 Q9NSA0 2/20 0.67
▸ DAO P14920 1/20 0.67
▸ SNCA P37840 1/20 0.67
▸ CYP2J2 P51589 1/20 0.67
▸ ABCC4 O15439 2/20 0.67
▸ MAPT P10636 5/20 0.66
▸ ALB P02768 1/20 0.66
▸ TDP1 Q9NUW8 5/20 0.59
▸ APEX1 P27695 3/20 0.59
▸ HSD17B10 Q99714 2/20 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
SCHEMBL9365502 0.90 NR1I2 (0.68) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL9365488 0.90 NR1I2 (0.68) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL8775324 0.90 NR1I2 (0.64) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL8775316 0.90 NR1I2 (0.64) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL9682794 0.89 NR1I2 (0.73) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL23043566 0.89 NR1I2 (0.77) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL23051167 0.89 NR1I2 (0.77) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL9684689 0.88 NR1I2 (0.71) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL9684635 0.88 NR1I2 (0.75) KMT2ANR1I2PGRHTR2CPPARG
SCHEMBL9684642 0.87 NR1I2 (0.70) KMT2ANR1I2PGRHTR2CPPARG

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
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 — — US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 — — US disclosed
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