SCHEMBL10793145

SCHEMBL10793145

C/C=C\C1=C(C(=O)OCOC(C)=O)N2C(=O)C(NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.63
▸ MAPT P10636 5/20 0.63
▸ ABCC4 O15439 2/20 0.63
▸ CNR1 P21554 1/20 0.63
▸ CTDSP1 Q9GZU7 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.61
▸ FAP Q12884 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ PTGS1 P23219 2/20 0.60
▸ NR1I2 O75469 5/20 0.58
▸ PPARG P37231 2/20 0.58
▸ ALB P02768 1/20 0.58
▸ SLC22A6 Q4U2R8 1/20 0.58
▸ SLC22A8 Q8TCC7 1/20 0.58
▸ SLC22A11 Q9NSA0 1/20 0.58
▸ APEX1 P27695 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56

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
SCHEMBL10793152 1.00 TDP1 (0.63) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10490084 1.00 TDP1 (0.63) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10791523 1.00 TDP1 (0.63) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10490081 1.00 TDP1 (0.63) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10791532 1.00 TDP1 (0.63) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10490266 0.93 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10490089 0.93 MAPT (0.71) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10528631 0.93 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10490271 0.93 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10813918 0.93 MAPT (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US disclosed
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