SCHEMBL28004993

SCHEMBL28004993

N#Cc1c(Br)c2ccccc2oc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
TNKS O95271 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MAOA P21397 2/20 0.42
GLA P06280 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B3 P37058 1/20 0.41
MAOB P27338 2/20 0.41
ABCB11 O95342 1/20 0.40

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
SCHEMBL15842754 0.84 KDM4E (0.54) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL11067092 0.79 KDM4E (0.66) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL29206918 0.79 KDM4E (0.57) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL28004955 0.79 ALDH1A1 (0.50) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3647430 0.79 KDM4E (0.57) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5472418 0.77 HSD17B10 (0.54) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5618619 0.77 PDE9A (0.51) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL10687334 0.76 KDM4E (0.53) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL11788423 0.76 GAA (0.60) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL25926071 0.74 KDM4E (0.39) KDM4EALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428036-A Polypeptides and their use NOVABIOTICS LTD 2015-03-18 CN disclosed