SCHEMBL6232926

SCHEMBL6232926

COc1cc(OCc2ccc(SC(F)(F)F)cc2)ccc1CNCCc1ncc(C)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
PPARD Q03181 1/20 0.39
BCHE P06276 6/20 0.39
CD274 Q9NZQ7 4/20 0.37
PDCD1 Q15116 3/20 0.37
APLNR P35414 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6231278 0.90 PTPRZ1 (0.41) PTPRZ1PPARDBCHECD274MEN1
SCHEMBL6232919 0.90 PTPRZ1 (0.44) PTPRZ1PPARDBCHECD274PDCD1
SCHEMBL6230537 0.85 BCHE (0.52) BCHECD274PDCD1MEN1KMT2A
SCHEMBL6236911 0.85 PLK1 (0.48) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL6256021 0.81 PTPRZ1 (0.42) PTPRZ1PPARDCD274PDCD1
SCHEMBL6232104 0.81 PTPRZ1 (0.42) PTPRZ1PPARDCD274PDCD1
SCHEMBL6235290 0.80 PLK1 (0.40) PTPRZ1BCHECD274MEN1KMT2A
SCHEMBL6271288 0.79 PTPRZ1 (0.38) PTPRZ1PPARDCD274PDCD1
SCHEMBL6234948 0.79 PTPRZ1 (0.38) PTPRZ1PPARDCD274PDCD1
SCHEMBL6232647 0.76 PDCD1 (0.41) PTPRZ1CD274PDCD1MEN1KMT2A

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