SCHEMBL7544509

SCHEMBL7544509

Cc1nnsc1CSC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.61
▸ MAPT P10636 3/20 0.61
▸ ABCC4 O15439 2/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ NR1I2 O75469 5/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ PGR P06401 3/20 0.54
▸ 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
▸ APAF1 O14727 2/20 0.52
▸ APEX1 P27695 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 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
SCHEMBL7544501 1.00 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11034346 0.87 TDP1 (0.70) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11034342 0.87 TDP1 (0.70) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9263764 0.86 TDP1 (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9270959 0.86 TDP1 (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9256716 0.86 TDP1 (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9270964 0.86 TDP1 (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7644333 0.86 TDP1 (0.64) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7644343 0.86 TDP1 (0.64) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL6888259 0.85 TDP1 (0.67) TDP1MAPTABCC4CNR1CTDSP1

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-6468995-B1 ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 — — US disclosed
EP-0667868-B1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 — — EP disclosed
EP-0667868-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-23 — — EP disclosed
WO-1995007283-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 — — WO disclosed
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