SCHEMBL10780724

SCHEMBL10780724

O=C(C=NOCc1csc(NC(=O)CCl)n1)NC1C(=O)N2C(C(=O)O)=C(COC(=O)NC(=O)CCl)CS[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.43
▸ MAPT P10636 8/20 0.43
▸ NR1I2 O75469 6/20 0.43
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ SLC22A8 Q8TCC7 2/20 0.43
▸ SLC22A11 Q9NSA0 2/20 0.43
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ PGR P06401 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ POLB P06746 3/20 0.40

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
SCHEMBL10777233 0.88 TDP1 (0.51) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11259245 0.80 NR1I2 (0.66) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL10779497 0.80 NR1I2 (0.66) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL10914907 0.80 MAPT (0.64) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL10830927 0.76 PTGS1 (0.40) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL10830929 0.76 PTGS1 (0.40) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL8371361 0.75 TDP1 (0.44) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL11212601 0.74 NR1I2 (0.50) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL4809163 0.74 NR1I2 (0.50) TDP1MAPTNR1I2SLC22A6SLC22A8
SCHEMBL4809193 0.74 NR1I2 (0.50) TDP1MAPTNR1I2SLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4680390-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-07-14 — — US disclosed
US-4520194-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-05-28 — — US disclosed
US-4278671-A ANTIBIOTICS, BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-07-14 — — US disclosed
Send feedback