SCHEMBL16052005

SCHEMBL16052005

Cc1sc(N)nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
MPL P40238 2/20 0.55
SCN5A Q14524 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
SCN9A Q15858 2/20 0.49
SCN2A Q99250 2/20 0.49
GAA P10253 2/20 0.49
GMNN O75496 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL23618149 0.83 MPL (0.55) SMN1; SMN2MPLSCN5ANPC1RAB9A
SCHEMBL23610362 0.82 NPC1 (0.49) SMN1; SMN2MPLSCN5ANPC1RAB9A
SCHEMBL23618148 0.82 SCN5A (0.49) SMN1; SMN2MPLSCN5ANPC1RAB9A
SCHEMBL558439 0.81 ALDH1A1 (0.68) SMN1; SMN2MPLNPC1RAB9ALMNA
SCHEMBL19638111 0.78 SCN5A (0.46) SMN1; SMN2SCN5ANPC1RAB9ALMNA
SCHEMBL131267 0.77 SMN1; SMN2 (0.65) SMN1; SMN2MPLNPC1RAB9ALMNA
SCHEMBL2303869 0.77 SMN1; SMN2 (0.70) SMN1; SMN2MPLRAB9ALMNAGAA
SCHEMBL28902428 0.74 SMN1; SMN2 (1.00) SMN1; SMN2MPLNPC1RAB9ALMNA
SCHEMBL21484791 0.74 TNK2 (0.45) SMN1; SMN2SCN5ANPC1RAB9ALMNA
SCHEMBL11480686 0.74 SMN1; SMN2 (0.65) SMN1; SMN2MPLNPC1RAB9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970255-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2016-01-20 EP claimed
WO-2014139882-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2014-09-18 WO claimed