SCHEMBL10123461

SCHEMBL10123461

C=C(NNc1cccc(Br)c1)NC(C)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.37
GAA P10253 2/20 0.36
TGM2 P21980 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
PLEC Q15149 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CLK1 P49759 1/20 0.35
IDO1 P14902 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34

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
SCHEMBL10123534 0.84 GAA (0.43) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL10123569 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL10123533 0.80 PDK1 (0.50) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL13993346 0.75 GAA (0.43) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL10123574 0.74 GAA (0.40) ALDH1A1KDM4EHTTGAATP53
SCHEMBL10123572 0.74 KDM4E (0.42) ALDH1A1KDM4EHTTGAATGM2
SCHEMBL10123578 0.74 GAA (0.42) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL13993345 0.70 KDM4E (0.42) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL10123498 0.70 MAPT (0.46) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL10123568 0.69 PDK1 (0.44) MEN1KMT2AALDH1A1KDM4EHTT

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