SCHEMBL8867421

SCHEMBL8867421

CSCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ LMNA P02545 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ PTGS1 P23219 2/20 0.45
▸ CTDSP1 Q9GZU7 2/20 0.44
▸ NR1I2 O75469 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC22A11 Q9NSA0 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL8867412 1.00 TDP1 (0.53) TDP1HSD17B10LMNAL3MBTL1PTGS1
SCHEMBL8868072 0.86 TDP1 (0.58) TDP1HSD17B10L3MBTL1PTGS1CTDSP1
SCHEMBL8868061 0.86 TDP1 (0.58) TDP1HSD17B10L3MBTL1PTGS1CTDSP1
SCHEMBL8867974 0.86 TDP1 (0.68) TDP1HSD17B10LMNAL3MBTL1PTGS1
SCHEMBL8867984 0.86 TDP1 (0.68) TDP1HSD17B10LMNAL3MBTL1PTGS1
SCHEMBL9481794 0.85 TDP1 (0.55) TDP1HSD17B10LMNAL3MBTL1CTDSP1
SCHEMBL9481784 0.85 TDP1 (0.55) TDP1HSD17B10LMNAL3MBTL1CTDSP1
SCHEMBL10890522 0.84 TDP1 (0.44) TDP1HSD17B10LMNAL3MBTL1CTDSP1
SCHEMBL10890519 0.84 TDP1 (0.44) TDP1HSD17B10LMNAL3MBTL1CTDSP1
SCHEMBL11417474 0.83 TDP1 (0.44) TDP1HSD17B10LMNAL3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594132-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 — — US disclosed
US-5026695-A Gram negative-gram positive microbiocides, oral adminis tration FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-25 — — US disclosed
US-4904652-A 7-acylamino-3-substituted cephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
US-4462999-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
US-4409215-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-11 — — US disclosed
EP-0029557-A2 7-Acylamino-3-substituted cephalosporanic acid derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-03 — — EP disclosed
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