SCHEMBL625324

SCHEMBL625324

CN1CCC(CNc2nn3cc(-c4ccc(O)cc4)nc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.42
THRB P10828 1/20 0.42
PIM1 P11309 1/20 0.42
MTOR P42345 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MELK Q14680 1/20 0.38
GAA P10253 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 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
SCHEMBL1944318 0.91 MKNK1 (0.45) MAPTTHRBPOLBTP53SMN1; SMN2
SCHEMBL1946451 0.86 FYN (0.47) MAPTTHRBMTORTP53SMN1; SMN2
SCHEMBL625257 0.83 FYN (0.47) MAPTTHRBPIM1SMN1; SMN2NPC1
SCHEMBL1944253 0.81 TP53 (0.53) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL1945276 0.80 MAPT (0.45) MAPTTHRBPOLBTP53SMN1; SMN2
SCHEMBL2251631 0.80 MKNK1 (0.59) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL627315 0.80 MKNK1 (0.37) LMNAKDM4EHSD17B10MKNK1
SCHEMBL1946964 0.79 TP53 (0.43) MAPTTHRBTP53SMN1; SMN2NPC1
SCHEMBL1945923 0.78 MAPT (0.42) MAPTTHRBPOLBTP53SMN1; SMN2
SCHEMBL17004605 0.78 MKNK1 (0.43) MAPTTP53SMN1; 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-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed