SCHEMBL6949780

SCHEMBL6949780

OCC(OC1CCCCO1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNA5 P22460 5/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
SCN5A Q14524 1/20 0.33
KCND3 Q9UK17 1/20 0.33
KCNE1 P15382 1/20 0.33
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TGFBR1 P36897 1/20 0.32
KCNH2 Q12809 1/20 0.32
TSHR P16473 1/20 0.32
DHFR P00374 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTT P42858 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
SCHEMBL5160820 0.80 SLC6A3 (0.43) KDM4CMEN1KMT2A
SCHEMBL5160815 0.80 SLC6A3 (0.43) KDM4CMEN1KMT2A
SCHEMBL5570712 0.80 SLC6A3 (0.43) KDM4CMEN1KMT2A
SCHEMBL14233518 0.80 SLC6A3 (0.43) KDM4CMEN1KMT2A
SCHEMBL10519881 0.77 KDM4C (0.36) KDM4CPOLBMAPTMEN1KMT2A
SCHEMBL6299639 0.77 KDM4C (0.44) KDM4CPOLBMAPTMEN1KMT2A
SCHEMBL25227849 0.76 KDM4C (0.36) KDM4CMAPTMEN1KMT2AKDM4E
SCHEMBL30397577 0.76 KDM4C (0.36) KDM4CMAPTMEN1KMT2AKDM4E
SCHEMBL25227851 0.76 KDM4C (0.36) KDM4CMAPTMEN1KMT2AKDM4E
SCHEMBL10516410 0.76 KDM4C (0.34) KDM4CPOLBMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed