SCHEMBL289686

SCHEMBL289686

Cc1nc(-c2ccc(Br)s2)sc1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RXFP1 Q9HBX9 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PPARG P37231 2/20 0.41
NCOA2 Q15596 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL2809700 0.74 HTR2C (0.56) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL289680 0.67 KDM4E (0.60) ALDH1A1MAPTRAB9AKDM4ERXFP1
SCHEMBL10301440 0.66 MAPT (0.56) ALDH1A1MAPTRAB9AKDM4ERXFP1
SCHEMBL22466257 0.65 SNCA (0.43) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL12131271 0.64 MAPT (0.41) ALDH1A1MAPTRAB9AKDM4ERXFP1
SCHEMBL299865 0.63 KDM4E (0.45) ALDH1A1MAPTRAB9AKDM4ERXFP1
SCHEMBL22465892 0.63 APP (0.49) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL289847 0.62 KDM4E (0.64) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL10186730 0.62 KDM4E (0.61) ALDH1A1MAPTRAB9AKDM4ERXFP1
SCHEMBL289855 0.62 MAPT (0.44) ALDH1A1MAPTRAB9AKDM4ERXFP1

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
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed