SCHEMBL4609823

SCHEMBL4609823

Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
AR P10275 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NR1H2 P55055 9/20 0.45
NR1H3 Q13133 9/20 0.45
RORC P51449 2/20 0.41
RORA P35398 1/20 0.41
MLYCD O95822 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PGR P06401 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7101194 0.83 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL13974786 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL11371728 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL3624298 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL5067200 0.82 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL2080757 0.82 AR (0.50) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL11245521 0.82 AR (0.46) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL7102669 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL3617992 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A
SCHEMBL4609826 0.79 ALDH1A1 (0.38) SMN1; SMN2HSD17B10MEN1MAPK1KMT2A

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-1810963-B1 FLUORINE-CONTAINING POLYMERIZABLE MONOMER AND POLYMER COMPOUND USING SAME CENTRAL GLASS CO LTD (JP) 2008-10-15 EP disclosed