SCHEMBL9698168

SCHEMBL9698168

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSC3=C(Cl)C(=O)OC3)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ NR1I2 O75469 5/20 0.47
▸ PGR P06401 2/20 0.47
▸ PPARG P37231 2/20 0.47
▸ SLC22A6 Q4U2R8 2/20 0.47
▸ SLC22A8 Q8TCC7 2/20 0.47
▸ SLC22A11 Q9NSA0 2/20 0.47
▸ DAO P14920 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ CYP2J2 P51589 1/20 0.47
▸ PTGS1 P23219 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ ABCC4 O15439 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ TDP1 Q9NUW8 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ APEX1 P27695 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44

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
SCHEMBL9698170 1.00 KMT2A (0.48) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9696953 0.90 KMT2A (0.48) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9696960 0.90 KMT2A (0.48) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL5712709 0.89 PTGS1 (0.52) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9361691 0.89 PTGS1 (0.52) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10635746 0.89 PTGS1 (0.52) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9200236 0.89 PTGS1 (0.52) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL5712708 0.89 PTGS1 (0.52) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9200234 0.89 PTGS1 (0.52) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9361696 0.89 PTGS1 (0.52) 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-5158946-A Antibiotics, bactericides BEECHAM GROUP P.L.C. (GB) 1992-10-27 — — US disclosed
EP-0418020-A2 Cephalosporinderivatives, process for their preparation and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1991-03-20 — — EP disclosed
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