SCHEMBL20767014

SCHEMBL20767014

Fc1cccc(-c2ncc3ccccn23)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 10/20 0.54
ALDH1A1 P00352 10/20 0.54
MAPT P10636 6/20 0.54
CHEK1 O14757 1/20 0.54
LIMK1 P53667 1/20 0.54
MAPK14 Q16539 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 6/20 0.49
NPC1 O15118 3/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 3/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 1/20 0.41
HSD11B1 P28845 1/20 0.40
GLA P06280 1/20 0.39

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
SCHEMBL3900072 0.76 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL20780687 0.76 HSD11B1 (0.39) LIMK1MAPK14HSD11B1CCNE2CCNE1
SCHEMBL20766941 0.76 ALDH1A1 (0.83) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL20767037 0.75 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPK14
SCHEMBL20767021 0.75 CCNE2 (0.39) HSD11B1CCNE2CCNE1CDK2CNR2
SCHEMBL2284269 0.74 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL22718492 0.73 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13325867 0.72 MEN1 (1.00) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL20767366 0.72 FLT3 (0.56) LIMK1
SCHEMBL20780596 0.72 IDO1 (0.37) KDM4EHSD11B1CCNE2CCNE1CDK2

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-3672970-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS Gilead Sciences, Inc. (US) 2020-07-01 EP disclosed
WO-2019040102-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2019-02-28 WO disclosed