SCHEMBL9643776

SCHEMBL9643776

Cc1nnc(SCC2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)C(NC(=O)C(=CC(=O)OC(C)(C)C)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)[C@@H]3SC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ TDP1 Q9NUW8 8/20 0.46
▸ MAPT P10636 8/20 0.44
▸ POLB P06746 8/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.41
▸ SLC22A11 Q9NSA0 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MEN1 O00255 2/20 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
SCHEMBL9644311 0.90 FAP (0.48) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL9644956 0.89 CTDSP1 (0.40) CTDSP1TDP1MAPTALDH1A1L3MBTL1
SCHEMBL9644960 0.89 CTDSP1 (0.40) CTDSP1TDP1MAPTALDH1A1L3MBTL1
SCHEMBL11166261 0.83 CTDSP1 (0.51) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11166273 0.83 CTDSP1 (0.51) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL9643780 0.83 CTDSP1 (0.33) CTDSP1TDP1L3MBTL1
SCHEMBL9643012 0.81 KMT2A (0.41) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL9643024 0.81 KMT2A (0.41) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11459698 0.81 CTDSP1 (0.61) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL10638997 0.80 NR1I2 (0.43) CTDSP1TDP1MAPTL3MBTL1KMT2A

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
EP-0168327-B1 CEPHALOSPORIN COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1992-09-23 — — EP disclosed
US-4791197-A ANTIBIOTICS SAKAGAMI KENJI (JP) 1988-12-13 — — US disclosed
EP-0168327-A2 Cephalosporin compounds MEIJI SEIKA KAISHA LTD. (JP) 1986-01-15 — — EP disclosed
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