SCHEMBL6541714

SCHEMBL6541714

O=[C]CSc1cc(Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
NR2F2 P24468 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
UBE2N P61088 1/20 0.38
TP53 P04637 1/20 0.38
CTSK P43235 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL5546396 0.85 AR (0.44) TDP1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3322133 0.81 TP53 (0.41) TDP1CYP1A2CYP2D6NR2F2ALDH1A1
SCHEMBL5546274 0.78 CA2 (0.36) ALDH1A1KMT2ALMNAUBE2NTP53
SCHEMBL14774993 0.78 KMT2A (0.36) TDP1MEN1KMT2ACTSKGAA
SCHEMBL2953965 0.76 RAB9A (0.42) TDP1CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL6212441 0.73 PDE7A (0.54) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL1436075 0.72 CYP2D6 (0.50) TDP1CYP1A2CYP2D6NR2F2ALDH1A1
SCHEMBL6542305 0.72 TDP1 (0.57) TDP1CYP1A2NR2F2ALDH1A1HPGD
SCHEMBL4273513 0.72 TDP1 (0.57) TDP1CYP1A2NR2F2ALDH1A1HPGD
SCHEMBL2320892 0.71 MAOA (0.43) CYP1A2CYP2D6ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382411-B1 Delivery of cytotoxic agents LILLY CO ELI (US) 1994-12-07 EP claimed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 WO claimed
EP-0382411-A2 Delivery of cytotoxic agents ELI LILLY AND COMPANY (US) 1990-08-16 EP claimed
EP-1294730-A4 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESS FOR PREPARING THE SAME LG CHEM INVESTMENT LTD (KR) 2004-01-14 EP disclosed
EP-1294730-A2 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESS FOR PREPARING THE SAME LG Chem Investment, Ltd. (KR) 2003-03-26 EP disclosed
WO-2002000616-A2 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESS FOR PREPARING THE SAME LG LIFE SCIENCES LTD (KR) 2002-01-03 WO disclosed
EP-0382411-B1 Delivery of cytotoxic agents LILLY CO ELI (US) 1994-12-07 EP disclosed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 WO disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
EP-0382411-A2 Delivery of cytotoxic agents ELI LILLY AND COMPANY (US) 1990-08-16 EP disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
US-4604386-A CONTROL OF GRAMPOSITIVE BACTERIA ELI LILLY AND COMPANY (US) 1986-08-05 US disclosed
EP-0168222-A2 3-(Alkynylalkyloxy) Cephalosporins ELI LILLY AND COMPANY (US) 1986-01-15 EP disclosed
US-4145538-A 3-Carbamyloxymethyl-cephalosporins ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US disclosed
US-4001226-A 3-(SUBSTITUTED)CARBONYLAMINO CEPHEM DERIVATIVES ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 US disclosed