SCHEMBL18306552

SCHEMBL18306552

Cc1cccc2nc(CS)cn12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.49
ALPL P05186 1/20 0.49
TP53 P04637 1/20 0.49
PDE10A Q9Y233 1/20 0.48
ADRB2 P07550 1/20 0.48

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
SCHEMBL8350294 0.84 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL102052 0.82 MAPT (0.58) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL23531016 0.82 MAPT (0.55) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL103693 0.82 MAPT (0.55) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9570471 0.82 MAPT (0.55) MAPTRAB9ASMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL31312462 0.81 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10515790 0.77 RAB9A (0.54) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL102089 0.76 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7947747 0.75 GAA (0.50) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL104116 0.72 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1MEN1

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-3103450-A1 NONE-HYDROPHOBIC COMPOUNDS FOR USE IN TREATING METASTASIS AND/OR CARTILAGE DEFECT Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2016-12-14 EP disclosed