SCHEMBL17048987

SCHEMBL17048987

O=[N+]([O-])C(CO)c1c(Cl)cnc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
ERN1 O75460 1/20 0.33
MALT1 Q9UDY8 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GPR3 P46089 1/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL17048685 0.78 CNR1 (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL17048896 0.75 USP7 (0.33) LMNAALDH1A1HTT
SCHEMBL17048826 0.73 HSP90AA1 (0.38) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL202480 0.70 MEN1 (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL17048798 0.70 MALT1 (0.34) MEN1KMT2APOLBMALT1NPC1
SCHEMBL17048875 0.65 GPR35 (0.36) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL17048849 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL844114 0.65 MAOA (0.47) ALDH1A1POLBERN1KDM4EGPR3
SCHEMBL17048799 0.64 MEN1 (0.33) MEN1KMT2AMAPTLMNAHTT
SCHEMBL202663 0.64 POLB (0.51) MEN1KMT2AMAPTALDH1A1POLB

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