SCHEMBL6605440

SCHEMBL6605440

O=c1nc(-c2cccc(CS)n2)sc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.59
GABRA1 P14867 1/20 0.59
ALDH1A1 P00352 9/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
NPSR1 Q6W5P4 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
KDM4E B2RXH2 5/20 0.38
RXFP1 Q9HBX9 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NFKB1 P19838 1/20 0.38
RECQL P46063 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL2958987 0.86 MIF (0.59) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL2961677 0.86 MIF (0.59) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL6605434 0.86 MIF (0.59) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL13199874 0.86 MIF (0.59) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL2956930 0.84 MIF (0.54) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL13199890 0.84 MIF (0.57) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL5015281 0.83 MIF (0.56) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL2959069 0.83 MIF (0.56) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL2962191 0.83 MIF (0.56) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL2956533 0.82 MIF (0.54) MIFGABRA1ALDH1A1NPC1RAB9A

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-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed