SCHEMBL11585087

SCHEMBL11585087

O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.60
▸ MAPT P10636 7/20 0.60
▸ HPGD P15428 5/20 0.60
▸ NR1I2 O75469 3/20 0.60
▸ CTDSP1 Q9GZU7 3/20 0.60
▸ SLC22A6 Q4U2R8 2/20 0.60
▸ SLC22A8 Q8TCC7 2/20 0.60
▸ SLC22A11 Q9NSA0 2/20 0.60
▸ DNMT1 P26358 1/20 0.60
▸ KMT2A Q03164 5/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ PTGS1 P23219 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ HSD17B10 Q99714 5/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ PKM P14618 2/20 0.56

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
SCHEMBL11585091 1.00 TDP1 (0.60) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11585962 0.95 TDP1 (0.55) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL7040792 0.92 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL7030196 0.92 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11063940 0.92 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL7028779 0.92 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL9436142 0.92 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL14065430 0.92 TDP1 (0.62) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11674593 0.92 TDP1 (0.62) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11471537 0.92 TDP1 (0.60) TDP1MAPTHPGDNR1I2CTDSP1

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-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 — — US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 — — US disclosed
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