SCHEMBL11283553

SCHEMBL11283553

C=CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.47
▸ TDP1 Q9NUW8 5/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ L3MBTL1 Q9Y468 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
▸ PSMD14 O00487 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ BLM P54132 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL11283556 1.00 PTGS1 (0.47) PTGS1TDP1APAF1L3MBTL1LMNA
SCHEMBL6362891 0.92 PTGS1 (0.55) PTGS1TDP1L3MBTL1LMNAAPEX1
SCHEMBL6362892 0.92 PTGS1 (0.55) PTGS1TDP1L3MBTL1LMNAAPEX1
SCHEMBL11290754 0.91 PTGS1 (0.43) PTGS1TDP1APAF1L3MBTL1LMNA
SCHEMBL11282180 0.91 PTGS1 (0.43) PTGS1TDP1APAF1L3MBTL1LMNA
SCHEMBL11279782 0.90 TDP1 (0.43) PTGS1TDP1APAF1L3MBTL1LMNA
SCHEMBL11279787 0.90 TDP1 (0.43) PTGS1TDP1APAF1L3MBTL1LMNA
SCHEMBL10834932 0.89 PTGS1 (0.47) PTGS1TDP1APAF1L3MBTL1LMNA
SCHEMBL10834938 0.89 PTGS1 (0.47) PTGS1TDP1APAF1L3MBTL1LMNA
SCHEMBL10850361 0.88 PTGS1 (0.48) PTGS1TDP1APAF1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US disclosed
US-4307233-A ANTIBACTERIAL AGENTS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
US-4307230-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
US-4307116-A BACTERICIDES RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
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