SCHEMBL8868940

SCHEMBL8868940

CCOC(=O)c1ccc(SC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)C(=NO)c4csc(N)n4)[C@@H]3SC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.60
▸ MAPT P10636 4/20 0.60
▸ ABCC4 O15439 3/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ NR1I2 O75469 5/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ PPARG P37231 2/20 0.56
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A8 Q8TCC7 2/20 0.56
▸ SLC22A11 Q9NSA0 2/20 0.56
▸ ALB P02768 1/20 0.56
▸ APEX1 P27695 3/20 0.53
▸ APAF1 O14727 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PLCG1 P19174 1/20 0.53
▸ ABCC2 Q92887 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53

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
SCHEMBL8868929 1.00 TDP1 (0.60) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7645328 0.86 TDP1 (0.68) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7645326 0.86 TDP1 (0.68) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11034342 0.84 TDP1 (0.70) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11034346 0.84 TDP1 (0.70) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL6888259 0.84 TDP1 (0.67) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL6888250 0.84 TDP1 (0.67) TDP1MAPTABCC4CNR1CTDSP1
Trifluoroacetic Acid SCHEMBL9145278 0.83 NR1I2 (0.60) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7645129 0.82 TDP1 (0.65) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7645134 0.82 TDP1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 — — US disclosed
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 — — US disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 — — US disclosed
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