SCHEMBL9778409

SCHEMBL9778409

COc1ccc(COC(=O)C2=C(CSc3cnns3)CS[C@H]3C(NC(=O)/C(=N\OC(OC(c4ccccc4)c4ccccc4)C4=NC(C)=CC(=O)C4OCc4ccc(OC)cc4)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ NR1I2 O75469 5/20 0.35
▸ PGR P06401 3/20 0.35
▸ PPARG P37231 3/20 0.34
▸ SLC22A6 Q4U2R8 2/20 0.34
▸ SLC22A8 Q8TCC7 2/20 0.34
▸ SLC22A11 Q9NSA0 2/20 0.34
▸ DAO P14920 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ CYP2J2 P51589 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ ALB P02768 1/20 0.34
▸ ABCC4 O15439 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TDP1 Q9NUW8 6/20 0.33
▸ APEX1 P27695 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33

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
SCHEMBL10447374 0.95 KMT2A (0.35) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9778303 0.93 KMT2A (0.35) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10447870 0.89 KMT2A (0.35) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9462768 0.83 NR1I2 (0.38) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9778343 0.80 NR1I2 (0.47) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10447600 0.80 NR1I2 (0.43) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9854432 0.80 NR1I2 (0.39) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10436689 0.80 KMT2A (0.39) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9463179 0.79 NR1I2 (0.37) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10436663 0.79 NR1I2 (0.38) KMT2ANR1I2PGRPPARGSLC22A6

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-5075299-A CEPHALOSPORIN COMPOUNDS AND ANTIBACTERIAL AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 1991-12-24 — — US claimed
US-5075299-A CEPHALOSPORIN COMPOUNDS AND ANTIBACTERIAL AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 1991-12-24 — — US disclosed
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