SCHEMBL17385156

SCHEMBL17385156

NC(=O)Cn1cc(I)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.39
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
ERCC5 P28715 1/20 0.36
PIM1 P11309 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
PLAA Q9Y263 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
AR P10275 1/20 0.32
ALOX5AP P20292 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EED O75530 1/20 0.30
PRKAB2 O43741 1/20 0.30
ABL1 P00519 1/20 0.30
CSF1R P07333 1/20 0.30

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
SCHEMBL15485301 0.82 HTT (0.39) PDK2ALPIALPGPLAAL3MBTL1
SCHEMBL12017379 0.81 SMN1; SMN2 (0.38) ALPIALPGPLAAL3MBTL1AR
SCHEMBL673074 0.78 MAPT (0.42) PDK2IKBKETBK1ERCC5PIM1
SCHEMBL17382262 0.78 CCNC (0.43) PDK2AR
SCHEMBL1140165 0.77 ALDH1A1 (0.49) PDK2IKBKETBK1KDM4EALDH1A1
SCHEMBL13102449 0.77 ALPI (0.53) PDK2IKBKETBK1ALPIALPG
SCHEMBL2748698 0.77 KDM4E (0.39) ALPIALPGPLAAL3MBTL1AR
SCHEMBL12492720 0.77 CCNC (0.45) PDK2AURKBALOX5AP
SCHEMBL16876622 0.75 ACHE (0.36)
SCHEMBL2554333 0.74 PDK2 (0.37) PDK2IKBKETBK1ERCC5PIM1

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-2015196335-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 WO disclosed