SCHEMBL8661689

SCHEMBL8661689

[N]=Cc1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
NPC1 O15118 9/20 0.59
RAB9A P51151 9/20 0.59
KDM4E B2RXH2 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HPGD P15428 5/20 0.59
PKM P14618 4/20 0.59
HSP90AA1 P07900 1/20 0.59
NPSR1 Q6W5P4 3/20 0.54
TP53 P04637 2/20 0.54
ABCB11 O95342 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
GAA P10253 4/20 0.53
HTT P42858 3/20 0.53
GLA P06280 2/20 0.53
NFKB1 P19838 2/20 0.53

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
SCHEMBL1086983 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1086985 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL19119423 0.83 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29539476 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7398588 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18422383 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL376644 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3081168 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL291450 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL718647 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601486-B1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD (KR) 1997-10-29 EP claimed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP claimed
US-5763631-A CIS-EPOXIDE COMPOUNDS; ANTIVIRUS AGENTS; USEFUL TO TREAT THE AIDS LUCKY LIMITED (KR) 1998-06-09 US disclosed
US-5744621-A CIS-EPOXIDE COMPOUNDS LUCKY LIMITED. (KR) 1998-04-28 US disclosed
EP-0601486-B1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD (KR) 1997-10-29 EP disclosed
US-5587388-A AIDS; VIRICIDES LUCKY LIMITED (KR) 1996-12-24 US disclosed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP disclosed