SCHEMBL9698026

SCHEMBL9698026

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(SCC3=CC(=O)OC3)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ NR1I2 O75469 5/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PGR P06401 3/20 0.43
▸ MAPT P10636 5/20 0.43
▸ PPARG P37231 2/20 0.43
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ SLC22A8 Q8TCC7 2/20 0.43
▸ SLC22A11 Q9NSA0 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ DAO P14920 1/20 0.42
▸ SNCA P37840 1/20 0.42
▸ CYP2J2 P51589 1/20 0.42
▸ ABCC4 O15439 2/20 0.42
▸ TDP1 Q9NUW8 5/20 0.41
▸ APEX1 P27695 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41

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
SCHEMBL9698021 1.00 KMT2A (0.45) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9698016 0.94 KMT2A (0.38) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9698020 0.94 KMT2A (0.38) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9697996 0.92 NR1I2 (0.43) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9697987 0.92 NR1I2 (0.43) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9698028 0.91 KMT2A (0.44) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9698024 0.91 KMT2A (0.44) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9696960 0.90 KMT2A (0.48) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9696953 0.90 KMT2A (0.48) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9699367 0.90 NR1I2 (0.45) KMT2ANR1I2HTR2CPTGS1ABCB11

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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