SCHEMBL8371361

SCHEMBL8371361

O=C(/C=N\OCc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.44
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ NR1I2 O75469 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CTDSP1 Q9GZU7 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ SLC15A2 Q16348 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ SPOP O43791 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL10790206 0.86 TDP1 (0.51) TDP1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL10790200 0.86 TDP1 (0.51) TDP1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL9367257 0.78 CTDSP1 (0.38) TDP1MAPTALDH1A1HSD17B10KMT2A
SCHEMBL9137559 0.77 NR1I2 (0.44) TDP1MAPTALDH1A1HSD17B10KMT2A
SCHEMBL9372145 0.77 PTGS1 (0.40) TDP1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL10830929 0.76 PTGS1 (0.40) TDP1MAPTALDH1A1HPGDNR1I2
SCHEMBL10830927 0.76 PTGS1 (0.40) TDP1MAPTALDH1A1HPGDNR1I2
SCHEMBL9369561 0.75 TDP1 (0.37) TDP1MAPTKMT2AHPGDNR1I2
SCHEMBL4809163 0.75 NR1I2 (0.50) TDP1MAPTALDH1A1HSD17B10KMT2A
SCHEMBL11212601 0.75 NR1I2 (0.50) TDP1MAPTALDH1A1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495584-B1 Cephalosporin compounds and their pharmaceutical compositions LILLY CO ELI (US) 1999-12-15 — — EP disclosed
US-5637693-A CEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-06-10 — — US disclosed
US-5362722-A Antibiotics ELI LILLY AND COMPANY (US) 1994-11-08 — — US disclosed
US-5247073-A Antibiotics for bactericides ELI LILLY AND COMPANY (US) 1993-09-21 — — US disclosed
EP-0495584-A2 Cephalosporin compounds and their pharmaceutical compositions ELI LILLY AND COMPANY (US) 1992-07-22 — — EP disclosed
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