SCHEMBL10123498

SCHEMBL10123498

C=C(NNc1ccc(C(C)=O)cc1)NC(C)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
PLEC Q15149 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
NLRP1 Q9C000 1/20 0.36
CYP1A1 P04798 1/20 0.35

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
SCHEMBL13993346 0.82 GAA (0.43) MAPTKDM4EGAATP53THRB
SCHEMBL10123578 0.81 GAA (0.42) MAPTKDM4EGAATP53THRB
SCHEMBL10123572 0.81 KDM4E (0.42) MAPTKDM4EGAATP53THRB
SCHEMBL10123569 0.80 ALDH1A1 (0.45) MAPTKDM4EGAATP53THRB
SCHEMBL13993345 0.80 KDM4E (0.42) MAPTKDM4EGAATP53THRB
SCHEMBL10123574 0.78 GAA (0.40) MAPTKDM4EGAATP53THRB
SCHEMBL10123534 0.71 GAA (0.43) MAPTKDM4EGAATP53THRB
SCHEMBL10123461 0.70 MEN1 (0.38) MAPTKDM4EGAATP53THRB
SCHEMBL29043036 0.70 MAPT (0.57) MAPTGAATP53L3MBTL1LMNA
SCHEMBL17681688 0.69 MAPT (0.52) MAPTGAATP53L3MBTL1LMNA

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
WO-2012060820-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2012-05-10 WO disclosed