SCHEMBL710376

SCHEMBL710376

Cc1cc(OCCN2CCCCC2)ccc1N=N/C=c1/[nH]c(=O)/c(=C/c2cnc(N(C=O)C3CC3)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NUAK1 O60285 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
PARP1 P09874 3/20 0.34
HRH3 Q9Y5N1 4/20 0.33
MAOB P27338 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDR P35968 1/20 0.33
HPGD P15428 1/20 0.33
PDGFRB P09619 1/20 0.32
FLT3 P36888 1/20 0.32
CCR4 P51679 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL701908 0.81 KDM4E (0.37) KDM4EMEN1HTTKMT2APARP1
SCHEMBL701907 0.81 KDM4E (0.37) KDM4EMEN1HTTKMT2APARP1
SCHEMBL650830 0.80 HPGD (0.42) KDM4EMEN1HTTKMT2ANPC1
SCHEMBL708157 0.78 SYK (0.35) KMT2ANUAK1PARP1HRH3
SCHEMBL650903 0.78 NOS3 (0.34)
SCHEMBL711443 0.77 KDM4E (0.39) KDM4EPARP1HRH3KDRHPGD
SCHEMBL705496 0.74 PIK3CA (0.37) PARP1PDE3BPDE3AKDR
SCHEMBL649545 0.73 HPGD (0.44) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL708159 0.73 PIK3CA (0.35) PARP1
SCHEMBL708508 0.72 UTS2R (0.32)

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-2423204-A1 THIAZOLIDINONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2012-02-29 EP disclosed