SCHEMBL10834759

SCHEMBL10834759

O=C(O)C1=C(CSc2snc(O)c2C(=O)O)CS[C@H]2C(NC(=O)/C(=N\OCc3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.46
▸ PGR P06401 3/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ PPARG P37231 3/20 0.46
▸ SLC22A6 Q4U2R8 2/20 0.46
▸ SLC22A8 Q8TCC7 2/20 0.46
▸ SLC22A11 Q9NSA0 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DAO P14920 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ CYP2J2 P51589 1/20 0.46
▸ ABCC4 O15439 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALB P02768 1/20 0.45
▸ TDP1 Q9NUW8 6/20 0.42
▸ APEX1 P27695 3/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PLCG1 P19174 1/20 0.42

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
SCHEMBL10834727 1.00 NR1I2 (0.46) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9602475 0.90 NR1I2 (0.47) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9602482 0.90 NR1I2 (0.47) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9463399 0.83 NR1I2 (0.43) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10834739 0.82 TDP1 (0.34) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10778514 0.82 NR1I2 (0.53) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9865111 0.82 NR1I2 (0.53) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9462688 0.81 KMT2A (0.40) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9703664 0.80 NR1I2 (0.50) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9703667 0.80 NR1I2 (0.50) 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-4607054-A Antiandrogenic compositions containing indene-7-ones ROUSSEL UCLAF (FR) 1986-08-19 — — US claimed
EP-0112164-A2 Cephem compounds, and their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-06-27 — — EP disclosed
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