SCHEMBL625515

SCHEMBL625515

C[S+]([O-])c1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 15/20 0.50
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
DYRK1A Q13627 1/20 0.41
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL625574 0.81 F2RL3 (0.65) F2RL3
SCHEMBL624077 0.79 F2RL3 (0.50) F2RL3MAPTTP53GAADYRK1A
SCHEMBL624845 0.78 F2RL3 (0.52) F2RL3MAPTTP53GAADYRK1A
SCHEMBL625514 0.77 DYRK1A (0.52) DYRK1A
SCHEMBL2983371 0.77 MEN1 (0.64) F2RL3MAPTDYRK1AIRAK4
SCHEMBL14397224 0.76 F2RL3 (0.47) F2RL3MAPTTP53GAADYRK1A
SCHEMBL1946612 0.76 F2RL3 (0.49) F2RL3MAPTTP53GAA
SCHEMBL1944086 0.75 F2RL3 (0.51) F2RL3MAPTTP53GAADYRK1A
SCHEMBL1945626 0.73 F2RL3 (0.47) F2RL3MAPTTP53DYRK1ANPC1
SCHEMBL1945253 0.73 PIM1 (0.47) F2RL3

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