SCHEMBL16656012

SCHEMBL16656012

Cc1cc(CNC(=O)NCOCC[Si](C)(C)C)on1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.55
VHL P40337 1/20 0.42
POLB P06746 4/20 0.40
USP2 O75604 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NR3C2 P08235 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KMT2A Q03164 3/20 0.38
GRM5 P41594 1/20 0.37
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
MEN1 O00255 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
SCHEMBL4204403 0.76 EPHX2 (0.57) EPHX2VHLPOLBUSP2NPC1
SCHEMBL4664040 0.75 POLB (0.56) EPHX2VHLPOLBUSP2NPC1
SCHEMBL21023373 0.71 LMNA (0.59) EPHX2VHLPOLBUSP2NPC1
SCHEMBL8235172 0.70 EPHX2 (0.49) EPHX2VHLPOLBUSP2NPC1
SCHEMBL6409949 0.69 EPHX2 (0.57) EPHX2POLBNPC1RAB9AKMT2A
SCHEMBL6403162 0.68 POLB (0.54) EPHX2POLBUSP2NPC1RAB9A
SCHEMBL4809579 0.67 CYP2D6 (0.34)
SCHEMBL1136794 0.65 VHL (0.59) EPHX2VHLPOLBUSP2KMT2A
SCHEMBL81734 0.65
SCHEMBL17824733 0.64 ALDH1A1 (0.56) EPHX2POLBUSP2PDE10AKMT2A

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-3057943-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed