SCHEMBL2734034

SCHEMBL2734034

O=C(NC(c1ccccc1)C(F)(F)F)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GSK3B P49841 5/20 0.52
ROCK1 Q13464 5/20 0.52
CLK4 Q9HAZ1 5/20 0.52
RPS6KA5 O75582 4/20 0.52
AKT1 P31749 4/20 0.52
PRKCD Q05655 4/20 0.52
PRKG2 Q13237 4/20 0.52
PRKG1 Q13976 4/20 0.52
PKN2 Q16513 4/20 0.52
GSK3A P49840 4/20 0.52
MAPK1 P28482 4/20 0.52
ROCK2 O75116 3/20 0.52
MAP4K4 O95819 3/20 0.52
CDK1 P06493 3/20 0.52
RPS6KB1 P23443 3/20 0.52
CDK2 P24941 3/20 0.52

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
SCHEMBL1135419 0.84 EPHX2 (0.54) LMNAALDH1A1KMT2AMEN1EPHX2
SCHEMBL11626488 0.79 ALDH1A1 (0.74) LMNAALDH1A1KMT2AMEN1GSK3B
SCHEMBL250886 0.77 TACR3 (0.49) LMNAALDH1A1KMT2AMEN1TACR3
SCHEMBL16989173 0.77 TACR3 (0.49) LMNAKMT2AMEN1MAPK1TACR3
SCHEMBL16989172 0.77 TACR3 (0.49) LMNAKMT2AMEN1MAPK1TACR3
SCHEMBL1568720 0.76 ROCK2 (0.83) LMNAALDH1A1KMT2AMEN1GSK3B
SCHEMBL2408678 0.75 HPGDS (0.54) LMNAALDH1A1TACR3PDE2ASMN1; SMN2
SCHEMBL2442820 0.75 HPGDS (0.54) LMNAALDH1A1TACR3PDE2ASMN1; SMN2
SCHEMBL19158873 0.75 TACR3 (0.47) LMNAALDH1A1KMT2AMAPK1TACR3
SCHEMBL11249593 0.75 ALDH1A1 (0.57) LMNAALDH1A1KMT2AMEN1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed