SCHEMBL624077

SCHEMBL624077

CS(=O)(=O)c1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 11/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
XDH P47989 1/20 0.42
DYRK1A Q13627 2/20 0.41

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
SCHEMBL2983371 0.89 MEN1 (0.64) F2RL3MEN1KMT2AMAPTCA12
SCHEMBL14397224 0.89 F2RL3 (0.47) F2RL3MEN1KMT2AMAPTCA12
SCHEMBL2973410 0.85 MEN1 (0.64) F2RL3MEN1KMT2ACA12CA1
SCHEMBL625574 0.81 F2RL3 (0.65) F2RL3
SCHEMBL12239758 0.79 MEN1 (0.75) F2RL3MEN1KMT2AMAPTCA12
SCHEMBL625515 0.79 F2RL3 (0.50) F2RL3MAPTTP53GAAIRAK4
SCHEMBL624845 0.78 F2RL3 (0.52) F2RL3MAPTTP53GAADYRK1A
SCHEMBL624076 0.77 DYRK1A (0.53) DYRK1A
SCHEMBL2979383 0.77 MEN1 (0.68) F2RL3MEN1KMT2AMAPTCA12
SCHEMBL2984297 0.76 MEN1 (0.66) F2RL3MEN1KMT2AMAPTCA12

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