SCHEMBL6584448

SCHEMBL6584448

COc1ccc(C2=CC(N)(C(=O)Cc3ccc4ccccc4c3)N=N2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.52
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MCHR1 Q99705 1/20 0.39
NPC1 O15118 1/20 0.39
NQO2 P16083 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ICMT O60725 1/20 0.39

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
SCHEMBL6585427 0.90 NPY5R (0.42) NPY5RMEN1KMT2ACYP3A4CYP1A2
SCHEMBL6588483 0.82 NPY5R (0.47) NPY5RMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6583451 0.82 MC4R (0.37) NPY5RKMT2AADRA1ANPC1RAB9A
SCHEMBL6584761 0.81 RIOK2 (0.38) NPY5RADRA1AGSK3AMAPK10RIOK2
SCHEMBL6585559 0.79 LMNA (0.44) MEN1KMT2ACYP3A4CYP1A2KDM4E
SCHEMBL6588259 0.77 RIOK2 (0.38) NPY5RMEN1KMT2AADRA1ACASP3
SCHEMBL6585290 0.76 RIOK2 (0.36) MEN1KMT2AKDM4EADRA1AMAPT
SCHEMBL6589152 0.75 RIOK2 (0.40) MEN1KMT2AADRA1ANPC1RAB9A
SCHEMBL6583477 0.71 EPHX1 (0.45) LMNACYP2C9
SCHEMBL6587116 0.69 NPC1 (0.37) CYP1A2KDM4ELMNANPC1CASP3

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
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed