SCHEMBL14522158

SCHEMBL14522158

COC(=O)c1sc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1N(C(=O)C1CCCCC1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
KDM4E B2RXH2 5/20 0.52
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 2/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
IKBKB O14920 1/20 0.39
CHEK1 O14757 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 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
SCHEMBL4152686 0.91 MAPT (0.51) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL4152684 0.91 MAPT (0.51) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL4147348 0.90 MAPT (0.52) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL4147352 0.90 MAPT (0.52) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL13630666 0.89 MAPT (0.45) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL14521529 0.87 ITK (0.40) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL2427841 0.80 MAPT (0.44) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL4155593 0.80 KDM4E (0.42) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL2427840 0.80 MAPT (0.44) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL13852139 0.80 KDM4E (0.42) MAPTKDM4ENPC1CASP3RAB9A

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
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed