SCHEMBL17048799

SCHEMBL17048799

CC[Si](CC)(CC)OC(Cc1c(Cl)cnc2ccccc12)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
PIN1 Q13526 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
PLAU P00749 1/20 0.31
KDR P35968 1/20 0.31
MYC P01106 1/20 0.31
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL17048743 0.79 PDE4D (0.32) PDE4D
SCHEMBL17048798 0.76 MALT1 (0.34) MEN1KMT2AKDRNPC1
SCHEMBL17048780 0.68 MALT1 (0.32) PLAUPDE4APDE4BPDE4CPDE4D
SCHEMBL17048987 0.64 MEN1 (0.38) MEN1KMT2AMAPTCYP1A2NPC1
SCHEMBL202480 0.64 MEN1 (0.45) MEN1KMT2AMAPTCYP1A2NPC1
SCHEMBL3152060 0.64 KDM4E (0.42) MEN1KMT2AMAPTCYP1A2PLAU
SCHEMBL4826614 0.64 CYP1A2 (0.47) MEN1KMT2AMAPTPIN1CYP1A2
SCHEMBL6214746 0.64 CYP1A2 (0.41) MEN1KMT2AMAPTPIN1CYP1A2
SCHEMBL17048908 0.63 MKNK1 (0.32)
SCHEMBL17048685 0.62 CNR1 (0.38) MEN1KMT2AMAPTLMNA

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-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed