SCHEMBL10873452

SCHEMBL10873452

CCSC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCCC(=O)O)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.64
▸ APEX1 P27695 3/20 0.64
▸ APAF1 O14727 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ PLCG1 P19174 1/20 0.64
▸ ABCC2 Q92887 1/20 0.64
▸ SIRT5 Q9NXA8 1/20 0.64
▸ PSMD14 O00487 1/20 0.63
▸ MMP2 P08253 1/20 0.63
▸ NR1I2 O75469 5/20 0.62
▸ HTR2C P28335 1/20 0.62
▸ MAPT P10636 4/20 0.59
▸ PPARG P37231 2/20 0.59
▸ SLC22A6 Q4U2R8 2/20 0.59
▸ SLC22A8 Q8TCC7 2/20 0.59
▸ SLC22A11 Q9NSA0 2/20 0.59
▸ ALB P02768 1/20 0.59
▸ PGR P06401 3/20 0.57

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
SCHEMBL10345443 0.93 TDP1 (0.73) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345445 0.93 TDP1 (0.73) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10645481 0.93 TDP1 (0.66) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345375 0.88 NR1I2 (0.62) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345373 0.88 NR1I2 (0.62) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345589 0.88 TDP1 (0.62) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345586 0.88 TDP1 (0.62) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11034342 0.88 TDP1 (0.70) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11034346 0.88 TDP1 (0.70) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345537 0.88 TDP1 (0.71) TDP1APEX1APAF1LMNAL3MBTL1

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
EP-0191507-A2 New 2-oxyimino-3-oxobutyric acid derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-08-20 — — EP disclosed
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