SCHEMBL2721089

SCHEMBL2721089

COC(=O)c1ccc2c(c1)CN(CCCNc1ccc(OC)cc1)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
HTR7 P34969 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD4 P21917 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 1/20 0.38

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
SCHEMBL2722462 0.94 POLB (0.44) ABCB1CA1CA2POLBMAPT
SCHEMBL2723562 0.87 DRD2 (0.50) ABCB1CA1CA2POLBMAPT
SCHEMBL2724010 0.83 KDM4E (0.50) ABCB1MAPTDRD3ALDH1A1DRD2
SCHEMBL2722406 0.81 CASP3 (0.40) HTR7CA1CA2POLBMAPT
SCHEMBL2723930 0.81 CASP3 (0.40) CA1CA2POLBMAPTLMNA
Hydrochloric Acid SCHEMBL2723178 0.80 CASP3 (0.39) CA1CA2POLBMAPTALDH1A1
SCHEMBL2721650 0.80 DRD4 (0.42) HTR7MAPTLMNAALDH1A1DRD4
SCHEMBL2724597 0.79 PKM (0.42) CA1CA2POLBMAPTLMNA
SCHEMBL2721489 0.78 CASP3 (0.41) CA1CA2POLBMAPTLMNA
SCHEMBL2724478 0.76 LMNA (0.42) CA1CA2MAPTLMNADRD3

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-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed