SCHEMBL9877502

SCHEMBL9877502

C=CSC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)C(=NOC)c3csc(NC(=O)C(F)(F)F)n3)[C@@H]2SC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.45
▸ MAPT P10636 5/20 0.45
▸ TDP1 Q9NUW8 5/20 0.45
▸ APEX1 P27695 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NR1I2 O75469 4/20 0.44
▸ ALB P02768 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

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
SCHEMBL9877500 1.00 PTGS1 (0.45) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9876881 0.93 TDP1 (0.43) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9876883 0.93 TDP1 (0.43) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9623995 0.91 TDP1 (0.47) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9623998 0.91 TDP1 (0.47) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9623944 0.89 TDP1 (0.50) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9623946 0.89 TDP1 (0.50) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9877497 0.85 NR1I2 (0.54) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9877496 0.85 NR1I2 (0.54) PTGS1MAPTTDP1APEX1ALDH1A1
SCHEMBL9623627 0.84 TDP1 (0.42) PTGS1MAPTTDP1APEX1ALDH1A1

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-4985555-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 — — US disclosed
US-4871730-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 — — US disclosed
EP-0268307-A2 New starting compounds for cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-25 — — EP disclosed
EP-0133678-A2 New cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-06 — — EP disclosed
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