SCHEMBL5313245

SCHEMBL5313245

O=c1[nH]c2ccccc2c(O)c1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 1.00
KDM4E B2RXH2 13/20 1.00
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
MAPT P10636 4/20 0.70
HPGD P15428 7/20 0.64
GAA P10253 2/20 0.64
NPSR1 Q6W5P4 1/20 0.63
HSD17B10 Q99714 5/20 0.60
RXFP1 Q9HBX9 1/20 0.59
IDE P14735 1/20 0.59
MPI P34949 1/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL7807575 0.84 ALDH1A1 (0.73) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL15648890 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL377487 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31192183 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6702846 0.81 KDM4E (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10050059 0.80 KDM4E (0.77) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL1934130 0.78 KDM4E (0.64) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL29400098 0.78 KDM4E (0.64) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6050565 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5336901 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT

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