SCHEMBL9340345

SCHEMBL9340345

Cc1nnc(SCSC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N\O)c4csc(N)n4)[C@H]3SC2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ ABCC4 O15439 2/20 0.61
▸ CTDSP1 Q9GZU7 2/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ NR1I2 O75469 5/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ PPARG P37231 2/20 0.53
▸ SLC22A6 Q4U2R8 2/20 0.53
▸ SLC22A8 Q8TCC7 2/20 0.53
▸ SLC22A11 Q9NSA0 2/20 0.53
▸ ALB P02768 1/20 0.53
▸ PGR P06401 3/20 0.53
▸ APAF1 O14727 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ PLCG1 P19174 1/20 0.52
▸ ABCC2 Q92887 1/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.52

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
SCHEMBL9340352 1.00 TDP1 (0.61) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL5972677 0.90 NR1I2 (0.64) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL9682740 0.90 NR1I2 (0.64) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL9682735 0.90 NR1I2 (0.64) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL9263764 0.89 TDP1 (0.62) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL9256716 0.89 TDP1 (0.62) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL9342424 0.89 TDP1 (0.63) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL9342431 0.89 TDP1 (0.63) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL9401379 0.87 TDP1 (0.50) TDP1MAPTABCC4CTDSP1CNR1
SCHEMBL11034346 0.87 TDP1 (0.70) TDP1MAPTABCC4CTDSP1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 — — US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 — — EP disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 — — EP disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 — — EP disclosed
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