SCHEMBL9684897

SCHEMBL9684897

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C(C)(C)C)cs3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.74
▸ HTR2C P28335 1/20 0.74
▸ PGR P06401 3/20 0.74
▸ PPARG P37231 2/20 0.72
▸ SLC22A6 Q4U2R8 2/20 0.72
▸ SLC22A8 Q8TCC7 2/20 0.72
▸ SLC22A11 Q9NSA0 2/20 0.72
▸ DAO P14920 1/20 0.72
▸ SNCA P37840 1/20 0.72
▸ CYP2J2 P51589 1/20 0.72
▸ ABCC4 O15439 2/20 0.71
▸ MAPT P10636 5/20 0.71
▸ ALB P02768 1/20 0.71
▸ KMT2A Q03164 1/20 0.68
▸ TDP1 Q9NUW8 5/20 0.63
▸ APEX1 P27695 3/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ POLB P06746 2/20 0.63
▸ RECQL P46063 2/20 0.63

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
SCHEMBL8651416 1.00 NR1I2 (0.74) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9683674 0.94 NR1I2 (0.79) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9683502 0.92 NR1I2 (0.76) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9683389 0.89 NR1I2 (0.72) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL8651088 0.89 NR1I2 (0.78) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL11491121 0.89 NR1I2 (0.78) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL9683604 0.89 NR1I2 (0.78) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL8869035 0.88 NR1I2 (0.83) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL13900618 0.88 NR1I2 (0.83) NR1I2HTR2CPGRPPARGSLC22A6
SCHEMBL8869018 0.88 NR1I2 (0.83) NR1I2HTR2CPGRPPARGSLC22A6

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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