SCHEMBL24497472

SCHEMBL24497472

CC(C)C=NNc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
THRB P10828 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL24497923 0.79 SMN1; SMN2 (0.31) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL11582819 0.67 SRC (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL11582820 0.67 SRC (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL6284346 0.64 KDM4E (0.40) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2483049 0.62 NOX1 (0.52) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL13664138 0.62 NOX1 (0.52) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL11673957 0.61 NPC1 (0.47) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL11673952 0.61 NPC1 (0.47) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL4547134 0.61
SCHEMBL13213731 0.61

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
US-20220176405-A1 INERTIZATION OF MATERIAL SURFACES BY FUNCTIONALIZED PERFLUORINATED MOLECULES Technische Universität Berlin (DE) 2022-06-09 US disclosed