SCHEMBL5310658

SCHEMBL5310658

CCc1cc2c(=O)c(-n3cnc4ccccc43)coc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
NPSR1 Q6W5P4 5/20 1.00
KDM4E B2RXH2 4/20 1.00
HSD17B10 Q99714 3/20 1.00
CASP1 P29466 2/20 1.00
CASP7 P55210 2/20 1.00
USP2 O75604 1/20 1.00
ADORA2A P29274 5/20 0.46
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
FGFR1 P11362 2/20 0.38

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
SCHEMBL8787390 0.78 KDM4E (0.63) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL8787226 0.77 HSD17B10 (0.62) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL8788264 0.76 MAOB (0.62) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL8787173 0.75 KDM4E (0.60) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL31046030 0.71 KDM4E (0.55) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL8398489 0.70 HPGD (0.63) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL5275289 0.69 ALDH1A1 (0.60) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL16410893 0.68 RAB9A (0.63) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL8787414 0.68 ALDH1A1 (0.53) HPGDNPSR1KDM4EHSD17B10CASP1
SCHEMBL12238012 0.68 SMN1; SMN2 (0.63) HPGDNPSR1KDM4EHSD17B10CASP1

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
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