SCHEMBL28033910

SCHEMBL28033910

O=C(NC(=S)Nc1cccc(F)c1F)c1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
KDM4E B2RXH2 3/20 0.69
HPGD P15428 2/20 0.69
ALDH1A1 P00352 11/20 0.69
NPC1 O15118 4/20 0.69
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALOX12 P18054 1/20 0.56
RAB9A P51151 4/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL9248095 0.80 ALDH1A1 (0.75) MAPTKDM4EHPGDALDH1A1NPC1
SCHEMBL28033909 0.79 ALDH1A1 (0.51) MAPTKDM4EHPGDALDH1A1NPC1
SCHEMBL5450396 0.78 ALDH1A1 (0.72) MAPTKDM4EHPGDALDH1A1NPC1
SCHEMBL5452889 0.78 KMT2A (0.73) MAPTKDM4EHPGDALDH1A1NPC1
SCHEMBL10924181 0.77 ALDH1A1 (0.60) MAPTKDM4EHPGDALDH1A1NPC1
SCHEMBL29661194 0.75 ALDH1A1 (0.63) MAPTKDM4EHPGDALDH1A1NPC1
SCHEMBL5453980 0.75 ALDH1A1 (0.63) MAPTHPGDALDH1A1NPC1KMT2A
SCHEMBL5450048 0.74 RAB9A (0.62) MAPTKDM4EHPGDALDH1A1NPC1
SCHEMBL11364578 0.74 RAB9A (0.72) MAPTKDM4EHPGDALDH1A1NPC1
SCHEMBL28033888 0.73 MAPT (0.67) MAPTHPGDALDH1A1NPC1KMT2A

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
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed