SCHEMBL6233689

SCHEMBL6233689

Cc1cnc(C(C)NCc2ccc(OCc3ccccc3)c(Cl)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.45
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
ACP1 P24666 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN13 Q12923 1/20 0.39
SSU72 Q9NP77 1/20 0.39
SLC2A1 P11166 1/20 0.39
CCR5 P51681 1/20 0.39
CTSA P10619 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL6233814 0.89 FFAR4 (0.45) CD274HTR7HTR6MEN1KMT2A
SCHEMBL6231703 0.88 LMNA (0.53) HTR7HTR6MEN1KMT2AALDH1A1
SCHEMBL6233809 0.88 HTR7 (0.41) HTR7HTR6MEN1KMT2AATM
SCHEMBL6231706 0.88 LMNA (0.53) HTR7HTR6MEN1KMT2AALDH1A1
SCHEMBL6233811 0.88 HTR7 (0.41) HTR7HTR6MEN1KMT2AATM
SCHEMBL6230153 0.87 MEN1 (0.51) HTR7HTR6MEN1KMT2AATM
SCHEMBL6232051 0.87 MEN1 (0.51) HTR7HTR6MEN1KMT2AATM
SCHEMBL6235284 0.86 PTPRZ1 (0.37) CD274
SCHEMBL6233372 0.84 SMN1; SMN2 (0.44) CD274MEN1KMT2ACTSASMN1; SMN2
SCHEMBL6235950 0.83 PDCD1 (0.49) CD274MEN1KMT2A

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