SCHEMBL11306012

SCHEMBL11306012

O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(F)CS[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.69
▸ MAPT P10636 6/20 0.69
▸ HPGD P15428 3/20 0.69
▸ NR1I2 O75469 2/20 0.69
▸ SLC22A6 Q4U2R8 2/20 0.69
▸ SLC22A8 Q8TCC7 2/20 0.69
▸ SLC22A11 Q9NSA0 2/20 0.69
▸ DNMT1 P26358 1/20 0.69
▸ CTDSP1 Q9GZU7 1/20 0.69
▸ LMNA P02545 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ HSD17B10 Q99714 3/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ PKM P14618 2/20 0.59

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
SCHEMBL11306004 1.00 TDP1 (0.69) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11863899 0.88 TDP1 (0.70) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11863907 0.88 TDP1 (0.70) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11191020 0.88 TDP1 (0.75) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11191023 0.88 TDP1 (0.75) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL10762678 0.88 TDP1 (0.69) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11097412 0.88 MAPK1 (0.74) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL10762681 0.88 TDP1 (0.69) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11051873 0.88 TDP1 (0.69) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11698002 0.88 TDP1 (0.69) TDP1MAPTHPGDNR1I2SLC22A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 — — US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 — — US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 — — US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 — — US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
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