SCHEMBL289671

SCHEMBL289671

Cc1nc(-c2ccc(-c3cc4ccccc4s3)s2)sc1C(=O)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.57
CNR1 P21554 1/20 0.52
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
IKBKG Q9Y6K9 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CES2 O00748 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL290238 0.83 SMN1; SMN2 (0.56) CNR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL2787018 0.81 SMN1; SMN2 (0.41) HTR2CIKBKBALDH1A1MAPTNPC1
SCHEMBL2809700 0.78 HTR2C (0.56) HTR2CCNR1THRATHRBCES2
SCHEMBL288852 0.78 KDM4E (0.59) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL289905 0.77 HPGD (0.60) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL12789540 0.75 CNR1 (0.77) HTR2CCNR1THRATHRBCES2
SCHEMBL289881 0.75 SMN1; SMN2 (0.61) CNR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL290307 0.74 CD274 (0.61) IKBKBCHUKIKBKGALDH1A1MAPT
SCHEMBL3828069 0.74 LMNA (0.51) IKBKBALDH1A1MAPTKDM4EKMT2A
SCHEMBL290239 0.72 CYP2A6 (0.42) IKBKBLMNA

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-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
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed