SCHEMBL5313883

SCHEMBL5313883

COc1ccc(-c2ncccc2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 7/20 1.00
HPGD P15428 3/20 1.00
KMT2A Q03164 3/20 0.58
CLK4 Q9HAZ1 1/20 0.56
KCNA5 P22460 1/20 0.49
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ESR2 Q92731 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46

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
SCHEMBL935169 0.80 ALDH1A1 (0.67) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL7113110 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDKMT2ACLK4
SCHEMBL6843188 0.79 ALDH1A1 (0.66) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL16048953 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDKMT2ACLK4
SCHEMBL30610433 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2ACLK4
SCHEMBL12521001 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2ACLK4
SCHEMBL1551352 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2ACLK4
SCHEMBL27268728 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2ACLK4
SCHEMBL5330253 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2ACLK4
SCHEMBL27530672 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDKMT2ACLK4

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed