SCHEMBL11279787

SCHEMBL11279787

C=CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=CN(C)C)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.43
▸ APEX1 P27695 3/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 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 0.42
▸ MMP2 P08253 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ABCC4 O15439 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ FAP Q12884 1/20 0.40

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
SCHEMBL11279782 1.00 TDP1 (0.43) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10943896 0.94 MAPT (0.46) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10943901 0.94 MAPT (0.46) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11283556 0.90 PTGS1 (0.47) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11283553 0.90 PTGS1 (0.47) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10848033 0.89 MAPT (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10848031 0.89 MAPT (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11280152 0.87 TDP1 (0.41) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11280148 0.87 TDP1 (0.41) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11286763 0.87 NR1I2 (0.44) 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 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-4307116-A BACTERICIDES RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — 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
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