SCHEMBL5320844

SCHEMBL5320844

O=C(Cc1nnn[nH]1)Nc1cccc2sc(Nc3ccccc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
RET P07949 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
CSNK1D P48730 1/20 0.38
GAA P10253 3/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL4915044 0.83 SMN1; SMN2 (0.55) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4908655 0.80 GAA (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4913799 0.78 NPC1 (0.44) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4913185 0.77 NPC1 (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4915377 0.76 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4916241 0.76 DYRK1A (0.56) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4427895 0.75 EPHX2 (0.53) MAPTMEN1KMT2AGAANPSR1
SCHEMBL4908696 0.75 NPC1 (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4913866 0.74 TP53 (0.45) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4922825 0.73 NPC1 (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-2007121154-A2 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 WO claimed