SCHEMBL11285339

SCHEMBL11285339

O=CCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3ccccc3)C2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.56
▸ CTDSP1 Q9GZU7 3/20 0.56
▸ MAPK1 P28482 2/20 0.55
▸ MAPT P10636 6/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ PLCG1 P19174 1/20 0.49
▸ PTGS1 P23219 1/20 0.47
▸ HPGD P15428 4/20 0.46
▸ NR1I2 O75469 2/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ SLC22A11 Q9NSA0 1/20 0.46

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
SCHEMBL11015972 0.90 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9642504 0.90 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL27275320 0.90 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL10579475 0.90 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL7804219 0.90 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL1132359 0.90 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9099692 0.90 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9699338 0.89 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL11690600 0.89 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9766170 0.89 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US claimed
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US disclosed
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