SCHEMBL6658682

SCHEMBL6658682

C/C=C/COc1ccc(-c2nnc(CCC)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 3/20 0.45
HSD17B10 Q99714 3/20 0.45
XIAP P98170 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
QPCTL Q9NXS2 2/20 0.36
DCTPP1 Q9H773 1/20 0.36
QPCT Q16769 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
SCHEMBL6658687 1.00 RAB9A (0.46) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6657365 0.99 RAB9A (0.45) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6657370 0.99 RAB9A (0.45) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6658451 0.92 RAB9A (0.50) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6658447 0.92 RAB9A (0.50) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6658817 0.91 RAB9A (0.49) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6658812 0.91 RAB9A (0.49) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6659953 0.90 RAB9A (0.48) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6659959 0.90 RAB9A (0.48) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6657907 0.90 RAB9A (0.46) RAB9AKDM4ESMN1; SMN2MAPTNPC1

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-1165721-B1 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING QINETIQ LTD (GB) 2004-08-04 EP disclosed
US-6696110-B1 THERMOGRAPHY QINETIQ LIMITED (GB) 2004-02-24 US disclosed