SCHEMBL6233515

SCHEMBL6233515

COc1cc(OCc2ccc(F)cc2)cc(OC)c1CNCCc1ncc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
TRPV6 Q9H1D0 1/20 0.40
CD274 Q9NZQ7 4/20 0.40
HTR2A P28223 1/20 0.40
KMT2A Q03164 5/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CHEK1 O14757 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
PDCD1 Q15116 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6233779 0.90 CD274 (0.49) BCHECD274KMT2ANPSR1KDM4E
SCHEMBL6231278 0.87 PTPRZ1 (0.41) BCHECD274KMT2AMEN1
SCHEMBL6233378 0.86 CD274 (0.43) CD274KMT2ATDP1KDM4EPDCD1
SCHEMBL6236777 0.82 SMN1; SMN2 (0.46) CD274KMT2ATDP1KDM4ESMN1; SMN2
SCHEMBL6233511 0.78 CTSA (0.42) CD274KMT2AMAOBPDCD1
SCHEMBL6230537 0.78 BCHE (0.52) BCHECD274KMT2AKDM4ESMN1; SMN2
SCHEMBL6237290 0.78 TMEM97 (0.36) CD274KMT2AMEN1
SCHEMBL6232926 0.76 PTPRZ1 (0.42) BCHECD274HTR2AKMT2AKDM4E
SCHEMBL6271288 0.76 PTPRZ1 (0.38) CD274PDCD1
SCHEMBL6234948 0.76 PTPRZ1 (0.38) CD274PDCD1

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