SCHEMBL9571647

SCHEMBL9571647

O=C(CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(Sc3nc4ccccc4s3)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ ABCC2 Q92887 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ NR1I2 O75469 5/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ PPARG P37231 3/20 0.39
▸ SLC22A6 Q4U2R8 2/20 0.39
▸ SLC22A8 Q8TCC7 2/20 0.39
▸ SLC22A11 Q9NSA0 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALB P02768 1/20 0.39

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
SCHEMBL9571637 1.00 TDP1 (0.43) TDP1APAF1LMNATSHRAPEX1
SCHEMBL8776260 0.96 TDP1 (0.40) TDP1APAF1LMNATSHRAPEX1
SCHEMBL8776263 0.96 TDP1 (0.40) TDP1APAF1LMNATSHRAPEX1
SCHEMBL8776268 0.89 NR1I2 (0.43) TDP1LMNAAPEX1L3MBTL1NR1I2
SCHEMBL8776265 0.89 NR1I2 (0.43) TDP1LMNAAPEX1L3MBTL1NR1I2
SCHEMBL9571585 0.88 NR1I2 (0.50) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9571593 0.88 NR1I2 (0.50) TDP1APAF1LMNATSHRAPEX1
SCHEMBL8776282 0.88 NR1I2 (0.38) TDP1APAF1LMNATSHRAPEX1
SCHEMBL8776283 0.88 NR1I2 (0.38) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9571518 0.88 NR1I2 (0.42) TDP1APAF1LMNATSHRAPEX1

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-0527686-A1 New cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1993-02-17 — — EP disclosed
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