SCHEMBL3356525

SCHEMBL3356525

Cc1cc(N)ccc1Oc1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
AR P10275 5/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
EZH2 Q15910 2/20 0.46
TSHR P16473 1/20 0.43
MAP4K4 O95819 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GCK P35557 1/20 0.41
SLC22A12 Q96S37 1/20 0.39
HPGD P15428 1/20 0.39
ESRRA P11474 1/20 0.39

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
SCHEMBL24823989 0.84 AR (0.58) KDM4EALDH1A1USP2ARTSHR
SCHEMBL29549546 0.83 ALDH1A1 (0.48) KDM4EALDH1A1ARTSHRMAPT
SCHEMBL5146047 0.83 GAA (0.45) KDM4EALDH1A1USP2ARPOLB
SCHEMBL28625665 0.81 AR (0.61) ARPOLBGAAEZH2TSHR
SCHEMBL5552568 0.81 SMN1; SMN2 (0.47) KDM4EALDH1A1ARTSHRMAP4K4
SCHEMBL3355529 0.81 AR (0.49) KDM4EALDH1A1USP2ARPOLB
SCHEMBL20155442 0.80 ALDH1A1 (0.45) KDM4EALDH1A1USP2ARGAA
SCHEMBL4329985 0.79 ALDH1A1 (0.56) KDM4EALDH1A1USP2POLBGAA
SCHEMBL30473086 0.79 ALDH1A1 (0.56) KDM4EALDH1A1USP2POLBGAA
SCHEMBL28678291 0.79 KDM4E (0.55) KDM4EALDH1A1USP2ARPOLB

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
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed