SCHEMBL6232647

SCHEMBL6232647

Cc1cnc(CCNCc2ccc(OCc3ccc(SC(F)(F)F)cc3)c([N+](=O)[O-])c2)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 10/20 0.41
CD274 Q9NZQ7 10/20 0.41
PTPRZ1 P23471 2/20 0.34
PTPN1 P18031 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
PLK1 P53350 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6235952 0.87 PDCD1 (0.51) PDCD1CD274KDM4EMEN1LMNA
SCHEMBL6235290 0.85 PLK1 (0.40) CD274PTPRZ1PTPN1MAPTKDM4E
SCHEMBL6236911 0.85 PLK1 (0.48) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL6235743 0.82 PDCD1 (0.39) PDCD1CD274PTPRZ1MAPTKDM4E
SCHEMBL6271865 0.79 SMN1; SMN2 (0.47) PDCD1CD274MAPTKDM4EMEN1
SCHEMBL6231278 0.78 PTPRZ1 (0.41) CD274PTPRZ1PTPN1MEN1KMT2A
SCHEMBL6232926 0.76 PTPRZ1 (0.42) PDCD1CD274PTPRZ1KDM4EMEN1
SCHEMBL6232919 0.76 PTPRZ1 (0.44) PDCD1CD274PTPRZ1PTPN1MEN1
SCHEMBL6233816 0.72 SLC2A1 (0.51) CD274KDM4EMEN1LMNAKMT2A
SCHEMBL6688691 0.72 PDCD1 (0.44) PDCD1CD274MAPTLMNACTSV

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed