SCHEMBL27739232

SCHEMBL27739232

Cc1cc(Oc2ccc(N)cc2N)c(C)c(C)c1Oc1ccc(N)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.44
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 2/20 0.35
LMNA P02545 3/20 0.34
SLC6A4 P31645 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL30145007 0.88 ALDH1A1 (0.42) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL12323956 0.83 CASP1 (0.41) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL27740126 0.82 CASP1 (0.47) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL27736509 0.81 CASP1 (0.45) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL31180014 0.81 MAPT (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28772400 0.80 CASP1 (0.38) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL27901553 0.80 GAA (0.42) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL30462573 0.79 ALDH1A1 (0.52) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL4532343 0.79 ALDH1A1 (0.52) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL28248142 0.78 CASP1 (0.42) CASP1ALDH1A1KDM4EMAPTMEN1

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-101289405-A Method for preparing 1,4-di(2,4- diaminophenyloxy)-2,3,5-trimethylbenzene UNIV DONGHUA (CN) 2008-10-22 CN disclosed