SCHEMBL5315467

SCHEMBL5315467

CCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
HPGD P15428 4/20 1.00
HSD17B10 Q99714 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
TSHR P16473 1/20 1.00
ALDH1A1 P00352 7/20 0.51
FPR1 P21462 8/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL2541804 0.80 RAB9A (0.74) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL13904566 0.74 ALDH1A1 (0.63) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL12722313 0.70 ALDH1A1 (0.67) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL13904793 0.69 ALDH1A1 (0.54) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL5274407 0.69 ALDH1A1 (0.58) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL2545819 0.68 SMN1; SMN2 (0.68) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL12238010 0.66 NPC1 (0.77) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL5267160 0.65 ALDH1A1 (0.60) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL4057641 0.65 MAPT (0.66) KDM4EHPGDHSD17B10NPSR1TSHR
SCHEMBL5267169 0.64 ALDH1A1 (0.73) KDM4EHPGDHSD17B10NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed