SCHEMBL253791

SCHEMBL253791

Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2=CCOCC2)c(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2=CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR3C1 P04150 2/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3C2B O00750 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ SUCNR1 Q9BXA5 3/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL251563 1.00 MAPK1 (0.40) MAPK1HTTSMN1; SMN2NR3C1PIK3CD
SCHEMBL617678 0.88 HTT (0.41) MAPK1HTTSMN1; SMN2NR3C1SUCNR1
SCHEMBL253866 0.88 SUCNR1 (0.38) MAPK1SUCNR1KLKB1
SCHEMBL253868 0.84 MAPK1 (0.32) MAPK1HTTSMN1; SMN2KLKB1
SCHEMBL253867 0.84 MAPK1 (0.32) MAPK1HTTSMN1; SMN2KLKB1
SCHEMBL10232885 0.81 SMN1; SMN2 (0.48) HTTSMN1; SMN2NR3C1SUCNR1HCRTR1
SCHEMBL619738 0.81 HCRTR1 (0.52) HTTSMN1; SMN2NR3C1SUCNR1HCRTR1
SCHEMBL616887 0.80 CSF1R (0.47) HTTSMN1; SMN2HDAC6
SCHEMBL620104 0.79 NR3C1 (0.54) HTTSMN1; SMN2NR3C1SUCNR1POLB
SCHEMBL619617 0.78 HTT (0.45) HTTSMN1; SMN2NR3C1SUCNR1HCRTR1

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 — — EP claimed
Send feedback