SCHEMBL5221802

SCHEMBL5221802

CC(=O)Nc1ccc(NC(=O)c2cccc3ccccc23)c(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.70
DEGS1 O15121 1/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 2/20 0.52
SLC16A3 O15427 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
FDPS P14324 1/20 0.49

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
SCHEMBL1954449 0.83 GFER (0.80) GFERDEGS1RAB9ARXFP1MEN1
SCHEMBL1955845 0.82 GFER (0.78) GFERDEGS1RAB9ANPC1MEN1
SCHEMBL1310079 0.82 GFER (0.78) GFERDEGS1RAB9ARXFP1MEN1
SCHEMBL9281809 0.81 GFER (0.76) GFERDEGS1RAB9ANPC1RXFP1
SCHEMBL14413339 0.81 GFER (0.76) GFERDEGS1RAB9ARXFP1MEN1
SCHEMBL1307732 0.81 GFER (0.76) GFERDEGS1RAB9AMEN1KMT2A
SCHEMBL1308410 0.81 GFER (0.76) GFERRAB9AMEN1KMT2AKDM4E
SCHEMBL11803827 0.79 KDM4E (0.67) MEN1KMT2AKDM4EALDH1A1NR1H4
SCHEMBL3655566 0.79 DEGS1 (0.65) GFERDEGS1RAB9ANPC1MEN1
SCHEMBL5220662 0.79 CNR1 (0.74) GFERDEGS1NPC1ALDH1A1

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-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed